acompound

Showing entry for H-D-Tpi-OH

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0023920
Compound Name	H-D-Tpi-OH
Structure
Formula	C12H12N2O2
InchiKey	FSNCEEGOMTYXKY-SNVBAGLBSA-N
SMILES	OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2
Inchi	InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m1/s1
IUPAC	(3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
Molecular Weight	216.09
Pubchem Id	675102
Chembl Id	CHEMBL1915148

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

n.a

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

CHEMBL

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
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	Inhibition	'='	3	%
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	Inhibition	'='	34	%
Q64669	BXGT016128	NAD(P)H dehydrogenase [quinone] 1	reviewed	-	Nqo1	Survival	'='	90	%
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	Survival	'='	95	%
Q64669	BXGT016128	NAD(P)H dehydrogenase [quinone] 1	reviewed	-	Nqo1	Ratio	'='	0	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05289	Allium macrostemon	Allium macrostemon	Medicinal Plant
BXGF05863	Allium azureum ledeb	Allium azureum ledeb	Others
BXGF06004	Allium chinense	Allium chinense	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}