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Name | CHEMBL200629 |
---|---|
Molecular formula | C24H27ClFN3O3 |
IUPAC name | N-[5-chloro-2-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methoxyphenyl]acetamide |
Molecular weight | 459.946 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | BDBM50174714 SCHEMBL3164653 (R)-N-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chloro-4-methoxyphenyl)acetamide |
Inchi Key | JKAIKDYLOFOXMP-YXMGTMDOSA-N |
Inchi ID | InChI=1S/C24H27ClFN3O3/c1-16-14-28(15-18-4-7-20(26)8-5-18)10-11-29(16)24(31)9-6-19-12-23(32-3)21(25)13-22(19)27-17(2)30/h4-9,12-13,16H,10-11,14-15H2,1-3H3,(H,27,30)/b9-6+/t16-/m1/s1 |
PubChem CID | 10434371 |
ChEMBL | CHEMBL200629 |
IUPHAR | N/A |
BindingDB | 50174714 |
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 |
---|---|---|---|---|---|
152803 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
152804 | C-C chemokine receptor type 1 | P51675 | Ccr1 | Mus musculus (Mouse) | 355 |
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