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Name | CHEMBL3891481 |
---|---|
Molecular formula | C26H33N7O3 |
IUPAC name | 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2,3-dihydroxypropyl)pyrazine-2-carboxamide |
Molecular weight | 491.596 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 1.5 |
Synonyms | SCHEMBL13491092 |
Inchi Key | HOVPROJGSNLOLU-OQHSHRKDSA-N |
Inchi ID | InChI=1S/C26H33N7O3/c1-17-15-32(25-19(3)18(2)22(30-31-25)11-20-7-5-4-6-8-20)9-10-33(17)24-14-27-23(13-28-24)26(36)29-12-21(35)16-34/h4-8,13-14,17,21,34-35H,9-12,15-16H2,1-3H3,(H,29,36)/t17-,21?/m1/s1 |
PubChem CID | 59191583 |
ChEMBL | CHEMBL3891481 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
538979 | Smoothened homolog | Q99835 | SMO | Homo sapiens (Human) | 787 |
538980 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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