acompound

Showing entry for 1N-[14-[1-Dimethylamino-(1S)-Ethyl]-4-Hydroxy-2,15-Dimethyl-(1S,2R,4R,5R,10S,11S,15S)-Tetracyclo[8.7.0.02,7.011,15]Heptadeca-6,13-Dien-5-Yl]-2-Methyl-(E)-2-Butenamide

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032841
Compound Name	1N-[14-[1-Dimethylamino-(1S)-Ethyl]-4-Hydroxy-2,15-Dimethyl-(1S,2R,4R,5R,10S,11S,15S)-Tetracyclo[8.7.0.02,7.011,15]Heptadeca-6,13-Dien-5-Yl]-2-Methyl-(E)-2-Butenamide
Structure
Formula	C28H44N2O2
InchiKey	SFKQLDFGZQMCLQ-QBHBXPQWSA-N
SMILES	C/C=C(/C(=N[C@@H]1C=C2CC[C@@H]3[C@@H]([C@]2(C[C@H]1O)C)CC[C@]1([C@H]3CC=C1[C@@H](N(C)C)C)C)O)\C
Inchi	InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-15-19-9-10-20-22-12-11-21(18(3)30(6)7)27(22,4)14-13-23(20)28(19,5)16-25(24)31/h8,11,15,18,20,22-25,31H,9-10,12-14,16H2,1-7H3,(H,29,32)/b17-8+/t18-,20-,22-,23-,24+,25+,27+,28-/m0/s1
IUPAC	(E)-N-[(2R,3R,8R,9S,10R,13S,14S)-17-[(1S)-1-(dimethylamino)ethyl]-2-hydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamide
Molecular Weight	440.34
Pubchem Id	10906319
Chembl Id	CHEMBL146080

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

n.a

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

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
P04058	BXGT006139	Acetylcholinesterase	reviewed	-	ache	Ki	-	-	-
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	Ki	-	-	-
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	IC50	'='	23780	nM
P04058	BXGT006139	Acetylcholinesterase	reviewed	-	ache	IC50	'='	185200	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04506	Sarcococca saligna	Sarcococca saligna	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}