acompound

Showing entry for Dehydroevodiamine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0014707
Compound Name	Dehydroevodiamine
Structure
Formula	C19H15N3O
InchiKey	VXHNSVKJHXSKKM-UHFFFAOYSA-O
SMILES	O=c1c2ccccc2n(c2=C3C(=c4c(=[NH+]3)cccc4)CCn12)C
Inchi	InChI=1S/C19H15N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9H,10-11H2,1H3/p+1
IUPAC
Molecular Weight	302.13
Pubchem Id	156372
Chembl Id	CHEMBL81923

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	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	-	18050	-	-
reviewed	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	-	330	-	-

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
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	IC50	'='	5630	nM
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	IC50	'='	18050	nM
P43140	BXGT010360	Alpha-1A adrenergic receptor	reviewed	-	Adra1a	Ki	'='	2400	nM
P23944	BXGT008930	Alpha-1D adrenergic receptor	reviewed	-	Adra1d	Ki	'='	2400	nM
P15823	BXGT008160	Alpha-1B adrenergic receptor	reviewed	-	Adra1b	Ki	'='	2400	nM
P08908	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	Ki	'='	36000	nM
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	IC50	'='	330	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02978	Tetradium ruticarpum	Tetradium ruticarpum	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}