acompound

Showing entry for Peganole

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0030087
Compound Name	Peganole
Structure
Formula	C11H12N2O
InchiKey	RDWJAMWCGSWTQS-UHFFFAOYSA-N
SMILES	OC1N2CCCC2=Nc2c1cccc2
Inchi	InChI=1S/C11H12N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5,11,14H,3,6-7H2
IUPAC	1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol
Molecular Weight	188.09
Pubchem Id	3756584
Chembl Id	CHEMBL2165578

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	BXGT011959	Cholinesterase	reviewed		BCHE	-	11390	-	-
reviewed	BXGT006430	Cholinesterase	reviewed		BCHE	-	>20000	-	-

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
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	39	%
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	IC50	'>'	20000	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	-	-	-
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	65	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	IC50	'='	11390	nM

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

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}