Showing entry for Dienestrol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0034968
Compound NameDienestrol
Structure
FormulaC18H18O2
InchiKeyNFDFQCUYFHCNBW-SCGPFSFSSA-N
SMILESC/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O
InchiInChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+
IUPAC4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol
Molecular Weight266.13
Pubchem Id667476
Chembl IdCHEMBL1018
Targets of Information Source
DrugBank DB00890
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
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 approved; investigational agonist
P04278 BXGT006182 Sex hormone-binding globulin reviewed - SHBG approved; investigational -
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 40491
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 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 - - - 13241.54
reviewed BXGT012099 Mitochondrial import inner membrane translocase subunit TIM10 reviewed TIM10 - 25600 - -
CHEMBL CHEMBL1018
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
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
P87108 BXGT012099 Mitochondrial import inner membrane translocase subunit TIM10 reviewed - TIM10 IC50 '=' 25600 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 8912 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 28183 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 4610 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 44668 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 89125 nM
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Activity '=' 0 pm/min/mg
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 4109 nM
P54855 BXGT011088 UDP-glucuronosyltransferase 2B15 reviewed - UGT2B15 Activity '=' 26 pm/min/mg
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 35481 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 79432 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 7943 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 1995 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 31622 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 31622 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 EC50 '=' 13241 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 891250 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 316 nM
P19785 BXGT008514 Estrogen receptor reviewed - Esr1 RBA '=' 20 -
O08537 BXGT004028 Estrogen receptor beta reviewed - Esr2 RBA '=' 20 -
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 19952 nM
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Potency - 1458 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 26854 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Potency '=' 10000 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 25118 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 580 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 580 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 580 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 16360 nM
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 7943 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 31622 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 50118 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 25118 nM
P18054 BXGT008370 Arachidonate 12-lipoxygenase, 12S-type reviewed Enzyme ALOX12 Potency '=' 25118 nM
O15296 BXGT004148 Arachidonate 15-lipoxygenase B reviewed Enzyme ALOX15B Potency - 15848 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 10000 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 12589 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 19952 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 48 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 7307 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 17782 nM
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 7079 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 22387 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 22387 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 61 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01237 Magnolia obovata Magnolia obovata Medicinal Plant
BXGF05264 Magnolia officinalis Magnolia officinalis 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