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Name | CHEMBL370596 |
---|---|
Molecular formula | C27H28FN3O2 |
IUPAC name | N-[3-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3-oxoprop-1-enyl]naphthalen-2-yl]acetamide |
Molecular weight | 445.538 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | OKPDPHQVVCXCIO-VSRDTVRMSA-N SCHEMBL3164677 BDBM50174706 N-(3[(E)-3-[(R)-4-(4-Fluorobenzyl)-2-methylpiperazin-1-yl]-3-oxopropenyl]-naphthalen-2-yl)-acetamide (R)-N-(3-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)naphthalen-2-yl)acetamide |
Inchi Key | OKPDPHQVVCXCIO-VSRDTVRMSA-N |
Inchi ID | InChI=1S/C27H28FN3O2/c1-19-17-30(18-21-7-10-25(28)11-8-21)13-14-31(19)27(33)12-9-24-15-22-5-3-4-6-23(22)16-26(24)29-20(2)32/h3-12,15-16,19H,13-14,17-18H2,1-2H3,(H,29,32)/b12-9+/t19-/m1/s1 |
PubChem CID | 10388824 |
ChEMBL | CHEMBL370596 |
IUPHAR | N/A |
BindingDB | 50174706 |
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 |
---|---|---|---|---|---|
243801 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
243802 | C-C chemokine receptor type 1 | P51675 | Ccr1 | Mus musculus (Mouse) | 355 |
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