Showing entry for Chlorhexidine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0015879
Compound NameChlorhexidine
Structure
FormulaC22H30Cl2N10
InchiKeyGHXZTYHSJHQHIJ-UHFFFAOYSA-N
SMILESN=C(NC(=N)Nc1ccc(cc1)Cl)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl
InchiInChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
IUPAC2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
Molecular Weight504.2
Pubchem Id2713
Chembl IdCHEMBL790
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 51937
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT013271 Mitogen-activated protein kinase kinase kinase kinase 2 reviewed Kinase MAP4K2 - - - 30000
reviewed BXGT013271 Mitogen-activated protein kinase kinase kinase kinase 2 reviewed Kinase MAP4K2 - - - 670
reviewed BXGT004598 Bcl-2-like protein 11 reviewed BCL2L11 - - - >350000
reviewed BXGT012099 Mitochondrial import inner membrane translocase subunit TIM10 reviewed TIM10 - 12100 - -
reviewed BXGT011358 Ubiquitin-conjugating enzyme E2 N reviewed UBE2N - 3012 - -
reviewed BXGT011358 Ubiquitin-conjugating enzyme E2 N reviewed UBE2N - 2197 - -
reviewed BXGT009676 Mitochondrial import inner membrane translocase subunit TIM23 reviewed TIM23 - >100000 - -
reviewed BXGT012931 Bcl-2-related protein A1 reviewed Bcl2a1 - >20000 - -
reviewed BXGT004860 Perilipin-1 reviewed PLIN1 - 2312 - -
reviewed BXGT004860 Perilipin-1 reviewed PLIN1 - 2858 - -
reviewed BXGT012560 Perilipin-5 reviewed PLIN5 - 1655 - -
reviewed BXGT012560 Perilipin-5 reviewed PLIN5 - 3825 - -
reviewed BXGT010241 Hepatocyte nuclear factor 4-alpha reviewed Nuclear receptor HNF4A - 23461 - -
reviewed BXGT010241 Hepatocyte nuclear factor 4-alpha reviewed Nuclear receptor HNF4A - 21436 - -
reviewed BXGT016497 Peroxisomal N(1)-acetyl-spermine/spermidine oxidase reviewed PAOX 100 - - -
reviewed BXGT021232 Spermine oxidase reviewed SMOX 550 - - -
reviewed BXGT008053 Matrix metalloproteinase-9 reviewed Enzyme MMP9 - 7630 - -
reviewed BXGT006757 72 kDa type IV collagenase reviewed Enzyme MMP2 - 7630 - -
reviewed BXGT009278 Trypanothione reductase reviewed TPR 2000 - - -
reviewed BXGT005526 Glutathione reductase, mitochondrial reviewed Enzyme GSR 192000 - - -
reviewed BXGT017618 Multidrug and toxin extrusion protein 2 reviewed Transporter SLC47A2 - 500 - -
reviewed BXGT004140 Solute carrier family 22 member 2 reviewed Transporter SLC22A2 - 400 - -
reviewed BXGT019660 Multidrug and toxin extrusion protein 1 reviewed Transporter SLC47A1 - 700 - -
reviewed BXGT005150 Solute carrier family 22 member 3 reviewed Transporter SLC22A3 - 410 - -
reviewed BXGT004141 Solute carrier family 22 member 1 reviewed Transporter SLC22A1 - 210 - -
CHEMBL CHEMBL790
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 31622 nM
P25101 BXGT009018 Endothelin-1 receptor reviewed G-protein coupled receptor EDNRA Activity '=' 79 %
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 '=' 15848 nM
P25094 BXGT009014 Peripheral myelin protein 22 reviewed - Pmp22 Potency - 32196 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 14581 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 44668 nM
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA Potency - 44668 nM
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 Potency - 89125 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Potency '=' 7943 nM
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR Potency - 39810 nM
Q2TB90 BXGT014214 Putative hexokinase HKDC1 reviewed Kinase HKDC1 IC50 '>' 80000 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 39810 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 14125 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 12589 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 14125 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 14125 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Potency - 28183 nM
P25929 BXGT009078 Neuropeptide Y receptor type 1 reviewed G-protein coupled receptor NPY1R Activity '=' 81 %
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Potency '=' 7943 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 '=' 15848 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 3548 nM
Q03530 BXGT012726 CAAX prenyl protease 2 reviewed - RCE1 AC50 '=' 5694 nM
P61088 BXGT011358 Ubiquitin-conjugating enzyme E2 N reviewed - UBE2N IC50 '=' 3012 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Potency - 354 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 '=' 7943 nM
P00390 BXGT005526 Glutathione reductase, mitochondrial reviewed Enzyme GSR Ki' '=' 210 uM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 31622 nM
P43351 BXGT010380 DNA repair protein RAD52 homolog reviewed Nucleic acid binding RAD52 AC50 '=' 1700 nM
Q2TB90 BXGT014214 Putative hexokinase HKDC1 reviewed Kinase HKDC1 IC50 '=' 8990 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 39810 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 31622 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 50118 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol Inhibition '>' 50 %
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 15848 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol Inhibition '<' 50 %
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency - 70794 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 40533 nM
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 15848 nM
P00390 BXGT005526 Glutathione reductase, mitochondrial reviewed Enzyme GSR Ki '=' 192000 nM
Q06710 BXGT012887 Paired box protein Pax-8 reviewed - PAX8 AC50 '=' 5690 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 15848 nM
Q9R1A7 BXGT021413 Nuclear receptor subfamily 1 group I member 2 reviewed - Nr1i2 Potency - 44668 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 6309 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 35 nM
P11308 BXGT007684 Transcriptional regulator ERG reviewed Transcription factor ERG Potency - 112201 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 17228 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency - 44668 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 56234 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 7 nM
O15245 BXGT004141 Solute carrier family 22 member 1 reviewed Transporter SLC22A1 IC50 '=' 210 nM
Q86VL8 BXGT017618 Multidrug and toxin extrusion protein 2 reviewed Transporter SLC47A2 IC50 '=' 500 nM
P25929 BXGT009078 Neuropeptide Y receptor type 1 reviewed G-protein coupled receptor NPY1R Activity '=' 100 %
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Potency - 39810 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Potency - 50118 nM
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA Potency - 50118 nM
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR Potency - 44668 nM
P25101 BXGT009018 Endothelin-1 receptor reviewed G-protein coupled receptor EDNRA Activity '=' 100 %
P14780 BXGT008053 Matrix metalloproteinase-9 reviewed Enzyme MMP9 IC50 '=' 7630 nM
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 44668 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 19952 nM
P28593 BXGT009278 Trypanothione reductase reviewed - TPR Ki '=' 2000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 12995 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 1778 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 33498 nM
C4YTQ8 BXGT002500 ATP-dependent molecular chaperone HSP82 unreviewed - CAWG_05553 EC50 '>' 150000 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 39810 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 25118 nM
Q07440 BXGT012931 Bcl-2-related protein A1 reviewed - Bcl2a1 IC50 '>' 20000 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 23109 nM
P08253 BXGT006757 72 kDa type IV collagenase reviewed Enzyme MMP2 IC50 '=' 7630 nM
O75751 BXGT005150 Solute carrier family 22 member 3 reviewed Transporter SLC22A3 IC50 '=' 410 nM
Q96FL8 BXGT019660 Multidrug and toxin extrusion protein 1 reviewed Transporter SLC47A1 Inhibition '=' 86 %
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 '=' 7943 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency - 50118 nM
O15296 BXGT004148 Arachidonate 15-lipoxygenase B reviewed Enzyme ALOX15B Potency - 12589 nM
B9W6M3 BXGT002361 Serine/threonine-protein phosphatase unreviewed - CNA1 EC50 '>' 180000 nM
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 Potency - 50118 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 12589 nM
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 63095 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 26608 nM
P41235 BXGT010241 Hepatocyte nuclear factor 4-alpha reviewed Nuclear receptor HNF4A IC50 - 23461 nM
P11308 BXGT007684 Transcriptional regulator ERG reviewed Transcription factor ERG Potency - 5623 nM
C4YTQ8 BXGT002500 ATP-dependent molecular chaperone HSP82 unreviewed - CAWG_05553 EC50 '=' 2128 nM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 Potency - 50118 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 16360 nM
P61088 BXGT011358 Ubiquitin-conjugating enzyme E2 N reviewed - UBE2N IC50 '=' 2197 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 44668 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 24336 nM
O15244 BXGT004140 Solute carrier family 22 member 2 reviewed Transporter SLC22A2 IC50 '=' 400 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 25118 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 21192 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 51735 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 51735 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 76958 nM
P10145 BXGT007542 Interleukin-8 reviewed Signaling CXCL8 Potency - 74978 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 - - -
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 15848 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Potency '=' 31622 nM
P32245 BXGT009614 Melanocortin receptor 4 reviewed G-protein coupled receptor MC4R IC50 '=' 1997 nM
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed Nuclear receptor RORC Potency - 26603 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 100000 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency '=' 16343 nM
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 31622 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 14125 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18837 nM
O60240 BXGT004860 Perilipin-1 reviewed - PLIN1 IC50 - 2312 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 10000 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 25118 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 33491 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
Q96FL8 BXGT019660 Multidrug and toxin extrusion protein 1 reviewed Transporter SLC47A1 IC50 '=' 700 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 39810 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Potency - 44668 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01598 Bryopsis pennata Bryopsis pennata Others
BXGF04209 Chaenomeles sinensis Chaenomeles sinensis Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease