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Name | PF-5274857 |
---|---|
Molecular formula | C20H25ClN4O3S |
IUPAC name | 1-[4-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]piperazin-1-yl]-3-methylsulfonylpropan-1-one |
Molecular weight | 436.955 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 1.8 |
Synonyms | HMS3656N06 US9056865, A-116 AKOS025149424 C20H25ClN4O3S KB-145934 [ Show all ] |
Inchi Key | BBVNTTZIOTWDSV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H25ClN4O3S/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28/h10-13H,4-9H2,1-3H3 |
PubChem CID | 56956240 |
ChEMBL | CHEMBL3186656 |
IUPHAR | N/A |
BindingDB | 162989 |
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 |
---|---|---|---|---|---|
459392 | Smoothened homolog | Q99835 | SMO | Homo sapiens (Human) | 787 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218