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Name | CHEMBL2160067 |
---|---|
Molecular formula | C28H25ClN6O |
IUPAC name | N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-[(2R)-2-methylmorpholin-4-yl]-1,6-naphthyridin-5-amine |
Molecular weight | 496.999 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 5.6 |
Synonyms | SCHEMBL1624551 BDBM50394397 N-[3-(5-Phenyl-1H-imidazole-2-yl)-4-chlorophenyl]-2-[(2R)-2alpha-methylmorpholino]-1,6-naphthyridine-5-amine |
Inchi Key | BSQHKYLMKDAHEX-GOSISDBHSA-N |
Inchi ID | InChI=1S/C28H25ClN6O/c1-18-17-35(13-14-36-18)26-10-8-21-24(33-26)11-12-30-27(21)32-20-7-9-23(29)22(15-20)28-31-16-25(34-28)19-5-3-2-4-6-19/h2-12,15-16,18H,13-14,17H2,1H3,(H,30,32)(H,31,34)/t18-/m1/s1 |
PubChem CID | 49840814 |
ChEMBL | CHEMBL2160067 |
IUPHAR | N/A |
BindingDB | 50394397 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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31906 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
31907 | Smoothened homolog | Q99835 | SMO | Homo sapiens (Human) | 787 |
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