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Name | SCHEMBL1836304 |
---|---|
Molecular formula | C24H30N6O2 |
IUPAC name | 2-[5-[(2R)-4-(4,5-dimethyl-6-phenoxypyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol |
Molecular weight | 434.544 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 2.9 |
Synonyms | CHEMBL3969486 |
Inchi Key | IEHAZPTWUKALSD-MRXNPFEDSA-N |
Inchi ID | InChI=1S/C24H30N6O2/c1-16-15-29(11-12-30(16)21-14-25-20(13-26-21)24(4,5)31)22-17(2)18(3)23(28-27-22)32-19-9-7-6-8-10-19/h6-10,13-14,16,31H,11-12,15H2,1-5H3/t16-/m1/s1 |
PubChem CID | 44596294 |
ChEMBL | CHEMBL3969486 |
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 |
---|---|---|---|---|---|
539297 | Smoothened homolog | Q99835 | SMO | Homo sapiens (Human) | 787 |
539298 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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