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Ligand

NameCHEMBL388869
Molecular formulaC37H34F6N4O2S
IUPAC nameN-[4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-4-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-oxobutan-2-yl]-1,3-thiazol-2-yl]benzamide
Molecular weight712.755
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP8.3
SynonymsBDBM50198110
N-{4-[1-({[3,5-bis(trifluoromethyl)phenyl]methyl}carbamoyl)-3-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]propyl]-1,3-thiazol-2-yl}benzamide
Inchi KeyDJZGCVPXKKXFCC-KEHMHDMQSA-N
Inchi IDInChI=1S/C37H34F6N4O2S/c1-23-21-47(16-14-35(23)13-11-25-7-5-6-10-30(25)35)15-12-29(31-22-50-34(45-31)46-32(48)26-8-3-2-4-9-26)33(49)44-20-24-17-27(36(38,39)40)19-28(18-24)37(41,42)43/h2-11,13,17-19,22-23,29H,12,14-16,20-21H2,1H3,(H,44,49)(H,45,46,48)/t23-,29?,35+/m0/s1
PubChem CID44425316
ChEMBLCHEMBL388869
IUPHARN/A
BindingDB50198110
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
61965C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373
61966C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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