acompound

Showing entry for 1,2,3,4,8,9,10,10a-octahydro-7bH-cyclopenta(b)(1,4)diazepino(6,7,1hj)indole

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042099
Compound Name	1,2,3,4,8,9,10,10a-octahydro-7bH-cyclopenta(b)(1,4)diazepino(6,7,1hj)indole
Structure
Formula	C14H18N2
InchiKey	XOSKJKGKWRIMGV-DGCLKSJQSA-N
SMILES	C1C[C@@H]2[C@H](C1)c1c3N2CCNCc3ccc1
Inchi	InChI=1S/C14H18N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h1,3,5,11,13,15H,2,4,6-9H2/t11-,13-/m1/s1
IUPAC
Molecular Weight	214.15
Pubchem Id	10130594
Chembl Id	CHEMBL1628670

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

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	BXGT009255	5-hydroxytryptamine receptor 2C	reviewed	G-protein coupled receptor	HTR2C	-	-	-	8

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
P28335	BXGT009255	5-hydroxytryptamine receptor 2C	reviewed	G-protein coupled receptor	HTR2C	Ki	'='	10	nM
P28335	BXGT009255	5-hydroxytryptamine receptor 2C	reviewed	G-protein coupled receptor	HTR2C	EC50	'='	8	nM
P41595	BXGT010267	5-hydroxytryptamine receptor 2B	reviewed	G-protein coupled receptor	HTR2B	Emax	'='	40	%
P28335	BXGT009255	5-hydroxytryptamine receptor 2C	reviewed	G-protein coupled receptor	HTR2C	Emax	'='	90	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00139	Pepper (Spice)	Piper nigrum	Herbs and Spices
BXGF04193	Piper longum	Piper longum	Medicinal Plant
BXGF05853	Cannabis sativa	Cannabis sativa	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}