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Name | CHEMBL3974732 |
---|---|
Molecular formula | C25H29F3N6O2 |
IUPAC name | 2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol |
Molecular weight | 502.542 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 1 |
XlogP | 3.5 |
Synonyms | SCHEMBL13490989 |
Inchi Key | HOWUQANRKNHXOD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H29F3N6O2/c1-15-16(2)22(32-31-20(15)17-6-8-18(36-5)9-7-17)33-10-12-34(13-11-33)23-29-14-19(24(3,4)35)21(30-23)25(26,27)28/h6-9,14,35H,10-13H2,1-5H3 |
PubChem CID | 59191469 |
ChEMBL | CHEMBL3974732 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
538982 | Smoothened homolog | Q99835 | SMO | Homo sapiens (Human) | 787 |
538983 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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