acompound

Showing entry for (1S)-1-Methyl-1,2,3,4-Tetrahydroisoquinoline-6,7-Diol

General Compound Information
BXGC Id	BXGC0042648
Compound Name	(1S)-1-Methyl-1,2,3,4-Tetrahydroisoquinoline-6,7-Diol
Structure
Formula	C10H13NO2
InchiKey	IBRKLUSXDYATLG-LURJTMIESA-N
SMILES	C[C@@H]1NCCc2c1cc(O)c(c2)O
Inchi	InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1
IUPAC	(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Molecular Weight	179.09
Pubchem Id	91588
Chembl Id	CHEMBL1195032

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

50448443

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	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	5000	-	-	-

CHEMBL

CHEMBL1195032

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
P14416	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	Ki	'='	5000	nM
P35462	BXGT009835	D(3) dopamine receptor	reviewed	G-protein coupled receptor	DRD3	Ki	'='	500	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	-	-	-
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	6309	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	12589	nM
Q9F4F7	BXGT020344	4'-phosphopantetheinyl transferase ffp	reviewed	-	ffp	Potency	'='	35481	nM
Q16665	BXGT013653	Hypoxia-inducible factor 1-alpha	reviewed	Transcription factor	HIF1A	Potency	'='	1995	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	11220	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	'='	15848	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	-	-	-
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	15848	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	15848	nM
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	251	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Potency	'='	15848	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	3548	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	-	-	-
P07550	BXGT006636	Beta-2 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB2	Activity	'='	35	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00014	Custard apple	Annona reticulata	Fruits
BXGF00182	Cocoa bean	Theobroma cacao	Cocoa and cocoa products
BXGF00899	Orthosphenia mexicana	Orthosphenia mexicana	Others
BXGF00933	Eupatorium gracile	Eupatorium gracile	Medicinal Plant
BXGF01452	Baccharis megapotamica	Baccharis megapotamica	Others
BXGF01646	Alstonia deplanchei	Alstonia deplanchei	Others
BXGF01753	Stevia mercedensis	Stevia mercedensis	Others
BXGF01861	Senecio latifolius	Senecio latifolius	Others
BXGF01885	Aconitum triphyllum	Aconitum triphyllum	Others
BXGF01926	Flemingia congesta	Flemingia congesta	Medicinal Plant
BXGF01950	Senecio rivularis	Senecio rivularis	Medicinal Plant
BXGF01972	Ficus simplicissima	Ficus simplicissima	Medicinal Plant
BXGF02063	Quercus dentata	Quercus dentata	Medicinal Plant
BXGF02114	Aconitum pseudohuiliense	Aconitum pseudohuiliense	Medicinal Plant
BXGF02178	Erigeron crispus	Erigeron crispus	Others
BXGF02229	Marrubium supinum	Marrubium supinum	Medicinal Plant
BXGF02260	Cacalia bicolor	Cacalia bicolor	Others
BXGF02279	Ceratozamia fuscoviridis	Ceratozamia fuscoviridis	Others
BXGF02292	Styrax perkinsiae	Styrax perkinsiae	Others
BXGF02339	Haplophyllum dauricum	Haplophyllum dauricum	Others
BXGF02360	Solanum elaeagnifolium	Solanum elaeagnifolium	Medicinal Plant
BXGF02430	Thuja standishii	Thuja standishii	Medicinal Plant
BXGF03352	Verbesina rupestris	Verbesina rupestris	Others
BXGF03839	Asteriscus graveolens	Asteriscus graveolens	Others
BXGF04123	Swinglea glutinosa	Swinglea glutinosa	Human Edible Plant
BXGF04239	Citrus glauca	Citrus glauca	Human Edible Plant
BXGF04831	Strychnos tabascana	Strychnos tabascana	Others
BXGF04920	Aconitum carmichaeli	Aconitum carmichaeli	Medicinal Plant
BXGF05278	Relhania pumila	Relhania pumila	Others
BXGF05312	Critonia quadrangularis	Critonia quadrangularis	Others
BXGF05360	Aconitum ciliare	Aconitum ciliare	Others
BXGF05365	Aconitum carmichaelii	Aconitum carmichaelii	Medicinal Plant
BXGF05529	Oxyanthus speciosus	Oxyanthus speciosus	Medicinal Plant
BXGF05851	Aconitum japonicum	Aconitum japonicum	Medicinal Plant
BXGF05854	Codium decorticatum	Codium decorticatum	Others
BXGF05877	Rheum tanguticum	Rheum tanguticum	Medicinal Plant
BXGF06106	Aconitum kusnezoffii	Aconitum kusnezoffii	Others
BXGF06154	Metalasia bolusii	Metalasia bolusii	Others
BXGF06173	Aconitum sachalinense	Aconitum sachalinense	Medicinal Plant
BXGF06292	Centrosema pascuorum	Centrosema pascuorum	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}