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Name | CHEMBL2088382 |
---|---|
Molecular formula | C31H41F3N4O3S |
IUPAC name | N-[(1S,2R,4R)-2-[(4-tert-butylphenyl)sulfonylmethyl]-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]acetamide |
Molecular weight | 606.749 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 6.3 |
Synonyms | BDBM50391017 SCHEMBL3422645 |
Inchi Key | AQKOLUZKBNCOKF-HOKHCIIBSA-N |
Inchi ID | InChI=1S/C31H41F3N4O3S/c1-19(2)38(6)22-12-15-25(20(16-22)18-42(40,41)23-13-10-21(11-14-23)30(3,4)5)36-28(39)17-27-35-26-9-7-8-24(29(26)37-27)31(32,33)34/h7-11,13-14,19-20,22,25H,12,15-18H2,1-6H3,(H,35,37)(H,36,39)/t20-,22+,25-/m0/s1 |
PubChem CID | 11467577 |
ChEMBL | CHEMBL2088382 |
IUPHAR | N/A |
BindingDB | 50391017 |
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 |
---|---|---|---|---|---|
11856 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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