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Name | CHEMBL388675 |
---|---|
Molecular formula | C30H32F6N2OS |
IUPAC name | (1R,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-methylsulfanylcyclopentane-1-carboxamide |
Molecular weight | 582.649 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 7.5 |
Synonyms | (1R,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-3-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]-1-(methylsulfanyl)cyclopentane-1-carboxamide BDBM50212137 |
Inchi Key | AJPSXOQDVAYDLP-YDWZHMMXSA-N |
Inchi ID | InChI=1S/C30H32F6N2OS/c1-19-18-38(12-11-27(19)9-7-21-5-3-4-6-25(21)27)24-8-10-28(16-24,40-2)26(39)37-17-20-13-22(29(31,32)33)15-23(14-20)30(34,35)36/h3-7,9,13-15,19,24H,8,10-12,16-18H2,1-2H3,(H,37,39)/t19-,24+,27+,28+/m0/s1 |
PubChem CID | 44425642 |
ChEMBL | CHEMBL388675 |
IUPHAR | N/A |
BindingDB | 50212137 |
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 |
---|---|---|---|---|---|
7114 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
7115 | C-C chemokine receptor type 2 | P51683 | Ccr2 | Mus musculus (Mouse) | 373 |
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