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Ligand

NameCHEMBL231150
Molecular formulaC39H38F6N4O2S
IUPAC nameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-2-[2-(2-phenylpropanoylamino)-1,3-thiazol-4-yl]butanamide
Molecular weight740.809
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP8.8
SynonymsBDBM50198114
N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-4-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]-2-[2-(2-phenylpropanamido)-1,3-thiazol-4-yl]butanamide
Inchi KeyJWKLHPJIQARGDH-NYQRLVHPSA-N
Inchi IDInChI=1S/C39H38F6N4O2S/c1-24-22-49(17-15-37(24)14-12-28-10-6-7-11-32(28)37)16-13-31(33-23-52-36(47-33)48-34(50)25(2)27-8-4-3-5-9-27)35(51)46-21-26-18-29(38(40,41)42)20-30(19-26)39(43,44)45/h3-12,14,18-20,23-25,31H,13,15-17,21-22H2,1-2H3,(H,46,51)(H,47,48,50)/t24-,25?,31?,37+/m0/s1
PubChem CID44425321
ChEMBLCHEMBL231150
IUPHARN/A
BindingDB50198114
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
161654C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373
161655C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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