acompound

Showing entry for Cremastrine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0030978
Compound Name	Cremastrine
Structure
Formula	C14H25NO3
InchiKey	AVBKRVFZNFJQBK-FVCCEPFGSA-N
SMILES	CC[C@H]([C@H](C(=O)OC[C@H]1CCN2[C@H]1CCC2)O)C
Inchi	InChI=1S/C14H25NO3/c1-3-10(2)13(16)14(17)18-9-11-6-8-15-7-4-5-12(11)15/h10-13,16H,3-9H2,1-2H3/t10-,11-,12+,13-/m1/s1
IUPAC	[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R,3R)-2-hydroxy-3-methylpentanoate
Molecular Weight	255.18
Pubchem Id	656392
Chembl Id	CHEMBL480464

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	BXGT007676	Muscarinic acetylcholine receptor M1	reviewed	G-protein coupled receptor	CHRM1	-	505	-	-
reviewed	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	-	>5517	-	-
reviewed	BXGT008562	Muscarinic acetylcholine receptor M3	reviewed	G-protein coupled receptor	CHRM3	-	126	-	-
reviewed	BXGT006738	Muscarinic acetylcholine receptor M4	reviewed	G-protein coupled receptor	CHRM4	-	498	-	-
reviewed	BXGT006840	Muscarinic acetylcholine receptor M5	reviewed	G-protein coupled receptor	CHRM5	-	1220	-	-

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
P11229	BXGT007676	Muscarinic acetylcholine receptor M1	reviewed	G-protein coupled receptor	CHRM1	IC50	'='	505	nM
P08912	BXGT006840	Muscarinic acetylcholine receptor M5	reviewed	G-protein coupled receptor	CHRM5	IC50	'='	1220	nM
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	IC50	'>'	5517	nM
P08173	BXGT006738	Muscarinic acetylcholine receptor M4	reviewed	G-protein coupled receptor	CHRM4	IC50	'='	498	nM
P20309	BXGT008562	Muscarinic acetylcholine receptor M3	reviewed	G-protein coupled receptor	CHRM3	IC50	'='	126	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02499	Cremastra appendiculata	Cremastra appendiculata	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}