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Ligand

NameCHEMBL438128
Molecular formulaC38H36F6N4O2S
IUPAC nameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-2-[2-[(2-phenylacetyl)amino]-1,3-thiazol-4-yl]butanamide
Molecular weight726.782
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP8.2
SynonymsBDBM50198116
N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-4-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]-2-[2-(2-phenylacetamido)-1,3-thiazol-4-yl]butanamide
Inchi KeyUXWASFWFYFPAIK-ZDOBVXEZSA-N
Inchi IDInChI=1S/C38H36F6N4O2S/c1-24-22-48(16-14-36(24)13-11-27-9-5-6-10-31(27)36)15-12-30(32-23-51-35(46-32)47-33(49)19-25-7-3-2-4-8-25)34(50)45-21-26-17-28(37(39,40)41)20-29(18-26)38(42,43)44/h2-11,13,17-18,20,23-24,30H,12,14-16,19,21-22H2,1H3,(H,45,50)(H,46,47,49)/t24-,30?,36+/m0/s1
PubChem CID44425317
ChEMBLCHEMBL438128
IUPHARN/A
BindingDB50198116
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
348341C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
348342C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373

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