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Ligand

NameCHEMBL395289
Molecular formulaC36H34F6N4O2S2
IUPAC nameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]butanamide
Molecular weight732.804
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP7.9
SynonymsBDBM50198134
N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-4-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]-2-{2-[2-(thiophen-2-yl)acetamido]-1,3-thiazol-4-yl}butanamide
Inchi KeySSLRKYCBEPQPOB-DHYFXEGDSA-N
Inchi IDInChI=1S/C36H34F6N4O2S2/c1-22-20-46(13-11-34(22)10-8-24-5-2-3-7-29(24)34)12-9-28(30-21-50-33(44-30)45-31(47)18-27-6-4-14-49-27)32(48)43-19-23-15-25(35(37,38)39)17-26(16-23)36(40,41)42/h2-8,10,14-17,21-22,28H,9,11-13,18-20H2,1H3,(H,43,48)(H,44,45,47)/t22-,28?,34+/m0/s1
PubChem CID44425318
ChEMBLCHEMBL395289
IUPHARN/A
BindingDB50198134
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
322060C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
322061C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373

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