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Name | CHEMBL181918 |
---|---|
Molecular formula | C28H33FN2O3S |
IUPAC name | 1-(3-fluorophenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenylpropan-1-ol |
Molecular weight | 496.641 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | BDBM50153916 1-(3-Fluoro-phenyl)-3-[4-(4-methanesulfonyl-benzyl)-[1,4]diazepan-1-yl]-1-phenyl-propan-1-ol |
Inchi Key | AVKQBZLJVGNTGC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H33FN2O3S/c1-35(33,34)27-13-11-23(12-14-27)22-31-17-6-16-30(19-20-31)18-15-28(32,24-7-3-2-4-8-24)25-9-5-10-26(29)21-25/h2-5,7-14,21,32H,6,15-20,22H2,1H3 |
PubChem CID | 44395194 |
ChEMBL | CHEMBL181918 |
IUPHAR | N/A |
BindingDB | 50153916 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
15363 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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