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Name | CHEMBL3417120 |
---|---|
Molecular formula | C29H32F6N2O |
IUPAC name | [(1S,3R)-1-propan-2-yl-3-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone |
Molecular weight | 538.578 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 6.5 |
Synonyms | BDBM50077950 |
Inchi Key | AONRERQBBIHFMX-JBGVBMOJSA-N |
Inchi ID | InChI=1S/C29H32F6N2O/c1-17(2)27(26(38)37-12-10-18-3-5-21(28(30,31)32)14-20(18)16-37)11-9-23(15-27)36-25-8-4-19-13-22(29(33,34)35)6-7-24(19)25/h3,5-7,13-14,17,23,25,36H,4,8-12,15-16H2,1-2H3/t23-,25?,27+/m1/s1 |
PubChem CID | 118734580 |
ChEMBL | CHEMBL3417120 |
IUPHAR | N/A |
BindingDB | 50077950 |
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 |
---|---|---|---|---|---|
442117 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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