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Name | CHEMBL231038 |
---|---|
Molecular formula | C31H36F4N2O |
IUPAC name | N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-propylcyclopentane-1-carboxamide |
Molecular weight | 528.636 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 7.4 |
Synonyms | N-{[3-fluoro-5-(trifluoromethyl)phenyl]methyl}-3-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]-1-propylcyclopentane-1-carboxamide BDBM50212134 |
Inchi Key | QVUCDCFWXARAJF-VXJMAOCXSA-N |
Inchi ID | InChI=1S/C31H36F4N2O/c1-3-10-29(28(38)36-19-22-15-24(31(33,34)35)17-25(32)16-22)11-9-26(18-29)37-14-13-30(21(2)20-37)12-8-23-6-4-5-7-27(23)30/h4-8,12,15-17,21,26H,3,9-11,13-14,18-20H2,1-2H3,(H,36,38)/t21-,26?,29?,30+/m0/s1 |
PubChem CID | 44425646 |
ChEMBL | CHEMBL231038 |
IUPHAR | N/A |
BindingDB | 50212134 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
288044 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
288045 | C-C chemokine receptor type 2 | P51683 | Ccr2 | Mus musculus (Mouse) | 373 |
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