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Name | CHEMBL385540 |
---|---|
Molecular formula | C29H30F6N2O |
IUPAC name | (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-4-spiro[indene-1,4'-piperidine]-1'-ylbutanamide |
Molecular weight | 536.562 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 7.1 |
Synonyms | BDBM50191800 SCHEMBL14445206 (2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-cyclopropyl-4-{spiro[indene-1,4''-piperidine]-1''-yl}butanamide |
Inchi Key | AUGHKPPZWXWECG-DEOSSOPVSA-N |
Inchi ID | InChI=1S/C29H30F6N2O/c30-28(31,32)22-15-19(16-23(17-22)29(33,34)35)18-36-26(38)24(20-5-6-20)8-12-37-13-10-27(11-14-37)9-7-21-3-1-2-4-25(21)27/h1-4,7,9,15-17,20,24H,5-6,8,10-14,18H2,(H,36,38)/t24-/m0/s1 |
PubChem CID | 44415922 |
ChEMBL | CHEMBL385540 |
IUPHAR | N/A |
BindingDB | 50191800 |
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 |
---|---|---|---|---|---|
14612 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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