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Name | CHEMBL3941789 |
---|---|
Molecular formula | C24H26N2O5 |
IUPAC name | propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate |
Molecular weight | 422.481 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | AC1LWBPE MolPort-001-731-497 BAS 00693241 propyl 4-{[(1-butyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinyl)carbonyl]amino}benzoate 300837-51-8 [ Show all ] |
Inchi Key | GZKCRVUTBBOLCK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H26N2O5/c1-3-5-14-26-19-9-7-6-8-18(19)21(27)20(23(26)29)22(28)25-17-12-10-16(11-13-17)24(30)31-15-4-2/h6-13,27H,3-5,14-15H2,1-2H3,(H,25,28) |
PubChem CID | 54683102 |
ChEMBL | CHEMBL3941789 |
IUPHAR | N/A |
BindingDB | 50196085 |
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 |
---|---|---|---|---|---|
538650 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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