acompound

Showing entry for 1,2,3,9-Tetrahydropyrrolo[2,1-B]Quinazoline

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0021254
Compound Name	1,2,3,9-Tetrahydropyrrolo[2,1-B]Quinazoline
Structure
Formula	C11H12N2
InchiKey	WUFQLZTXIWKION-UHFFFAOYSA-N
SMILES	C1CC2=Nc3c(CN2C1)cccc3
Inchi	InChI=1S/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-2,4-5H,3,6-8H2
IUPAC	1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
Molecular Weight	172.1
Pubchem Id	442894
Chembl Id	CHEMBL355821

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	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	3720	-	-
reviewed	BXGT009967	Acetylcholinesterase	reviewed		Ache	-	18000	-	-
reviewed	BXGT004559	Acetylcholinesterase	reviewed		ache	-	11810	-	-
reviewed	BXGT011959	Cholinesterase	reviewed		BCHE	-	11940	-	-

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
P37136	BXGT009967	Acetylcholinesterase	reviewed	-	Ache	IC50	'='	18000	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	3720	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
BXGF01087	Impatiens balsamina	Impatiens balsamina	Medicinal Plant
BXGF04906	Andrographis herba	Andrographis herba	Others
BXGF05115	Andrographis paniculata	Andrographis paniculata	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}