acompound

Showing entry for [(8Bs)-4,8B-Dimethyl-3-(Methylcarbamoyl)-2,3A-Dihydro-1H-Pyrrolo[2,3-B]Indol-7-Yl] N-Methylcarbamate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0051844
Compound Name	[(8Bs)-4,8B-Dimethyl-3-(Methylcarbamoyl)-2,3A-Dihydro-1H-Pyrrolo[2,3-B]Indol-7-Yl] N-Methylcarbamate
Structure
Formula	C16H22N4O3
InchiKey	PYEMNABYODPRPP-VYIIXAMBSA-N
SMILES	CN=C(Oc1ccc2c(c1)[C@]1(C)CCN(C1N2C)C(=NC)O)O
Inchi	InChI=1S/C16H22N4O3/c1-16-7-8-20(14(21)17-2)13(16)19(4)12-6-5-10(9-11(12)16)23-15(22)18-3/h5-6,9,13H,7-8H2,1-4H3,(H,17,21)(H,18,22)/t13?,16-/m0/s1
IUPAC	[(8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
Molecular Weight	318.17
Pubchem Id	3083935
Chembl Id	CHEMBL77799

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	BXGT004559	Acetylcholinesterase	reviewed		ache	-	9300	-	-

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	IC50	'='	9300	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Relative potency	'='	0	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00049	Chicory	Cichorium intybus	Vegetables
BXGF01209	Solanum virginianum	Solanum virginianum	Medicinal Plant
BXGF01727	Fraxinus ornus	Fraxinus ornus	Medicinal Plant
BXGF02372	Aesculus turbinata	Aesculus turbinata	Medicinal Plant
BXGF03308	Bidens tripartita	Bidens tripartita	Medicinal Plant
BXGF03547	Physostigma venenosum	Physostigma venenosum	Medicinal Plant
BXGF04169	Anisodus tanguticus	Anisodus tanguticus	Medicinal Plant
BXGF05416	Euphorbia lathyris	Euphorbia lathyris	Medicinal Plant
BXGF05537	Koelpinia linearis	Koelpinia linearis	Human Edible Plant
BXGF05753	Citrus limonia	Citrus limonia	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}