Showing entry for 4-(beta-Methylaminoethyl)catechol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0004548
Compound Name4-(beta-Methylaminoethyl)catechol
Structure
FormulaC9H13NO2
InchiKeyNGKZFDYBISXGGS-UHFFFAOYSA-N
SMILESCNCCC1=CC(O)=C(O)C=C1
InchiInChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H3
IUPAC4-[2-(methylamino)ethyl]benzene-1,2-diol
Molecular Weight167.21
Pubchem Id4382
Chembl IdCHEMBL31088
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 81489
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 BXGT019575 D(1A) dopamine receptor reviewed DRD1 23 - - -
reviewed BXGT008560 D(2) dopamine receptor reviewed DRD2 530 - - -
CHEMBL CHEMBL31088
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
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 10000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 5623 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Potency '=' 6309 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 56234 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 25118 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 '=' 3981 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 1258 nM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 Potency '=' 2238 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 5323 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 60119 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 13371 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 31622 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 14581 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 5011 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 19952 nM
Q4Q090 BXGT014858 2,3-bisphosphoglycerate-independent phosphoglycerate mutase unreviewed - PGAM Potency - 23934 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 '=' 1000000000 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 37685 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 - - -
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 25 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Potency - 281 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 12995 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 26679 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 2993 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 39810 nM
P40225 BXGT010168 Thrombopoietin reviewed - THPO Potency '=' 12589 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 10621 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Potency - 130 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Potency - 82 nM
P07378 BXGT006616 Phosphoglycerate kinase, glycosomal reviewed - Potency - 37933 nM
P15289 BXGT008102 Arylsulfatase A reviewed Enzyme ARSA Potency - 2393 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 39810 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Potency - 251 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 10000 nM
Q99549 BXGT019932 M-phase phosphoprotein 8 reviewed Epigenetic regulator MPHOSPH8 Potency - 37685 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 19952 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 89125 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 31622 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00819 Pulses Pulses
BXGF00873 Polyalthia barnesii Polyalthia barnesii Others
BXGF01030 Striga lutea Striga lutea Medicinal Plant
BXGF01113 Crotalaria medicaginea Crotalaria medicaginea Medicinal Plant
BXGF01294 Eria alba Eria alba Others
BXGF01348 Sidastrum burrerense Sidastrum burrerense Others
BXGF01365 Psychotria st Psychotria st Others
BXGF01983 Yucca recurvifolia Yucca recurvifolia Human Edible Plant
BXGF03643 Cytisus scoparius Cytisus scoparius Medicinal Plant
BXGF04176 Fritillaria stenanthera Fritillaria stenanthera Others
BXGF05438 Calocephalus citreus Calocephalus citreus Others
BXGF05580 Genista pichisermolliana Genista pichisermolliana Others
BXGF05606 Eria floribunda Eria floribunda Others
BXGF05653 Kopsia teoi Kopsia teoi Others
BXGF05786 Rubus lambertianus Rubus lambertianus Medicinal Plant
BXGF06084 Brickellia cylindracea Brickellia cylindracea Others
BXGF06225 Stevia paniculata Stevia paniculata Others
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