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Name | CHEMBL3906154 |
---|---|
Molecular formula | C23H25ClN4O2 |
IUPAC name | (2R)-N-[4-chloro-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide |
Molecular weight | 424.929 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.9 |
Synonyms | BDBM50200479 |
Inchi Key | BUAQQQXCXVROEG-DFHBCGBQSA-N |
Inchi ID | InChI=1S/C23H25ClN4O2/c1-12-5-8-18(21-17(12)9-6-13(2)25-21)14(3)23(29)27-16-7-10-20(24)19(11-16)22-26-15(4)30-28-22/h6-7,9-12,14,18H,5,8H2,1-4H3,(H,27,29)/t12-,14-,18+/m1/s1 |
PubChem CID | 134135949 |
ChEMBL | CHEMBL3906154 |
IUPHAR | N/A |
BindingDB | 50200479 |
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 |
---|---|---|---|---|---|
548273 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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