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Name | CHEMBL496604 |
---|---|
Molecular formula | C25H21ClN6 |
IUPAC name | 6-[4-[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile |
Molecular weight | 440.935 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 4.7 |
Synonyms | 6-{4-[4-(4-Chlorobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile BDBM50268494 SCHEMBL3602622 |
Inchi Key | HZYOJTRPVYPKHR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H21ClN6/c26-20-8-5-18(6-9-20)15-23-21-3-1-2-4-22(21)25(30-29-23)32-13-11-31(12-14-32)24-10-7-19(16-27)17-28-24/h1-10,17H,11-15H2 |
PubChem CID | 44186430 |
ChEMBL | CHEMBL496604 |
IUPHAR | N/A |
BindingDB | 50268494 |
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 |
---|---|---|---|---|---|
128148 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
128149 | Smoothened homolog | Q99835 | SMO | Homo sapiens (Human) | 787 |
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