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Name | CHEMBL382435 |
---|---|
Molecular formula | C32H38ClFN2O5S2 |
IUPAC name | N-[1-[(3R)-3-(3-chloro-5-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide |
Molecular weight | 649.233 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 5.2 |
Synonyms | (R)-N-(1-(3-(3-chloro-5-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide Benzeneacetamide, N-ethyl-4-(methylsulfonyl)-N-[1-[(3S)-3-[4-(methylsulfonyl)phenyl]-3-(3-fluoro-5-chlorophenyl)propyl]-4-piperidinyl]- N-[1-[(3R)-3-(3-chloro-5-fluoro-phenyl)-3-(4-methylsulfonylphenyl)propyl]-4-piperidyl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide BDBM50185667 |
Inchi Key | AEKZALMFASFTNO-WJOKGBTCSA-N |
Inchi ID | InChI=1S/C32H38ClFN2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1 |
PubChem CID | 16073670 |
ChEMBL | CHEMBL382435 |
IUPHAR | N/A |
BindingDB | 50185667 |
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 |
---|---|---|---|---|---|
3587 | C-C chemokine receptor type 5 | P51681 | CCR5 | Homo sapiens (Human) | 352 |
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