Inhibitor Report for: 6QAD-HUZ

IC50 14.0 nM for human BChE Residual activity of 63% for human AChE. Compound 13 of the paper Meden et al. derived from Tryptophan

General

Type		Derivative of Tryptophan, Indole
Chemical_Nomenclature		(2S)-2-(butylamino)-N-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1H-indol-3-yl)propanamide
Canonical SMILES		CCCCNC(CC1=CNC2=CC=CC=C21)C(=O)NCCC3CCC(CC3)N(C)C
InChI		InChI=1S/C25H40N4O/c1-4-5-15-26-24(17-20-18-28-23-9-7-6-8-22(20)23)25(30)27-16-14-19-10-12-21(13-11-19)29(2)3/h6-9,18-19,21,24,26,28H,4-5,10-17H2,1-3H3,(H,27,30)/t19?,21?,24-/m0/s1
InChIKey		NDNXTWYOKPDDNQ-HQOBLLPJSA-N
Other name(s)		HUZ

________________________________________________________________________________________________

MW	\|	412.6
Formula	\|	C25H40N4O
CAS_number	\|
PubChem	\|	137552757
UniChem	\|	NDNXTWYOKPDDNQ-HQOBLLPJSA-N
IUPHAR	\|
Wikipedia	\|

Target

Families	\|	6QAD-HUZ ligand of proteins in family: BCHE
Stucture	\|	1 structure: 6QAD: Human Butyrylcholinesterase in complex with ((S)-2-(butylamino)-N-(2-(4-(dimethylamino)cyclohexyl)ethyl)-3-(1H-indol-3-yl)propanamide
Protein	\|	human-BCHE

References:

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