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Ligand

NameCHEMBL493780
Molecular formulaC24H32F6N2O
IUPAC name(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclohexylamino)-1-propan-2-ylcyclopentane-1-carboxamide
Molecular weight478.523
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.2
SynonymsBDBM50257792
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(cyclohexylamino)-1-isopropylcyclopentanecarboxamide
Inchi KeyAGRUIFPFWPXZNV-IRLDBZIGSA-N
Inchi IDInChI=1S/C24H32F6N2O/c1-15(2)22(9-8-20(13-22)32-19-6-4-3-5-7-19)21(33)31-14-16-10-17(23(25,26)27)12-18(11-16)24(28,29)30/h10-12,15,19-20,32H,3-9,13-14H2,1-2H3,(H,31,33)/t20-,22+/m1/s1
PubChem CID44573412
ChEMBLCHEMBL493780
IUPHARN/A
BindingDB50257792
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5151C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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