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Name | CHEMBL196860 |
---|---|
Molecular formula | C22H24ClFN4O2 |
IUPAC name | [5-chloro-2-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3-oxoprop-1-enyl]phenyl]urea |
Molecular weight | 430.908 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 2.9 |
Synonyms | BDBM50174707 SCHEMBL3174041 (R)-1-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)urea |
Inchi Key | SMUIBVXQXIDYSQ-FUVBFXSKSA-N |
Inchi ID | InChI=1S/C22H24ClFN4O2/c1-15-13-27(14-16-2-7-19(24)8-3-16)10-11-28(15)21(29)9-5-17-4-6-18(23)12-20(17)26-22(25)30/h2-9,12,15H,10-11,13-14H2,1H3,(H3,25,26,30)/b9-5+/t15-/m1/s1 |
PubChem CID | 9980155 |
ChEMBL | CHEMBL196860 |
IUPHAR | N/A |
BindingDB | 50174707 |
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 |
---|---|---|---|---|---|
318208 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
318209 | C-C chemokine receptor type 1 | P51675 | Ccr1 | Mus musculus (Mouse) | 355 |
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