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Name | CHEMBL3417114 |
---|---|
Molecular formula | C29H32F3N3O |
IUPAC name | 1-[[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile |
Molecular weight | 495.59 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.4 |
Synonyms | BDBM50077983 |
Inchi Key | AXHRCHHCHLDMOV-ZRNCVZAUSA-N |
Inchi ID | InChI=1S/C29H32F3N3O/c1-18(2)28(27(36)35-13-11-19-6-7-22(29(30,31)32)14-21(19)17-35)12-10-23(15-28)34-26-9-8-24-20(16-33)4-3-5-25(24)26/h3-7,14,18,23,26,34H,8-13,15,17H2,1-2H3/t23-,26?,28+/m1/s1 |
PubChem CID | 118734575 |
ChEMBL | CHEMBL3417114 |
IUPHAR | N/A |
BindingDB | 50077983 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
442319 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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