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Name | CHEMBL3417225 |
---|---|
Molecular formula | C33H36F3N3O |
IUPAC name | [(1S,3R)-1-propan-2-yl-3-[(5-pyridin-3-yl-2,3-dihydro-1H-inden-1-yl)amino]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone |
Molecular weight | 547.666 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 6.2 |
Synonyms | BDBM50077918 |
Inchi Key | ANARUSDEEXNZJU-LSUJFNKPSA-N |
Inchi ID | InChI=1S/C33H36F3N3O/c1-21(2)32(31(40)39-15-12-22-5-8-27(33(34,35)36)17-26(22)20-39)13-11-28(18-32)38-30-10-7-24-16-23(6-9-29(24)30)25-4-3-14-37-19-25/h3-6,8-9,14,16-17,19,21,28,30,38H,7,10-13,15,18,20H2,1-2H3/t28-,30?,32+/m1/s1 |
PubChem CID | 118734680 |
ChEMBL | CHEMBL3417225 |
IUPHAR | N/A |
BindingDB | 50077918 |
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 |
---|---|---|---|---|---|
442078 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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