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Name | CHEMBL3986486 |
---|---|
Molecular formula | C29H38N8O2 |
IUPAC name | 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide |
Molecular weight | 530.677 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 2.5 |
Synonyms | SCHEMBL13491122 |
Inchi Key | FHRXCLYBSQUUCJ-OAQYLSRUSA-N |
Inchi ID | InChI=1S/C29H38N8O2/c1-21-20-36(28-23(3)22(2)25(33-34-28)17-24-7-5-4-6-8-24)11-12-37(21)27-19-31-26(18-32-27)29(38)30-9-10-35-13-15-39-16-14-35/h4-8,18-19,21H,9-17,20H2,1-3H3,(H,30,38)/t21-/m1/s1 |
PubChem CID | 59191486 |
ChEMBL | CHEMBL3986486 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
537914 | Smoothened homolog | Q99835 | SMO | Homo sapiens (Human) | 787 |
537915 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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