acompound

Showing entry for Vasicine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0037836
Compound Name	Vasicine
Structure
Formula	C11H12N2O
InchiKey	YIICVSCAKJMMDJ-JTQLQIEISA-N
SMILES	O[C@H]1CCN2C1=Nc1ccccc1C2
Inchi	InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m0/s1
IUPAC	(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol
Molecular Weight	188.09
Pubchem Id	667496
Chembl Id	CHEMBL2163791

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	BXGT006430	Cholinesterase	reviewed		BCHE	-	3130	-	-
reviewed	BXGT011959	Cholinesterase	reviewed		BCHE	-	2530	-	-

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
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	IC50	'='	2530	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	30	%
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	IC50	'='	3130	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	85	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01008	Peganum harmala	Peganum harmala	Medicinal Plant
BXGF01884	Justicia adhatoda	Justicia adhatoda	Medicinal Plant
BXGF02153	Sida cordifolia	Sida cordifolia	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}