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Name | CHEMBL3971451 |
---|---|
Molecular formula | C23H24N2O5 |
IUPAC name | 4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoic acid |
Molecular weight | 408.454 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 4.3 |
Synonyms | 4-(1-hexyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)benzoic acid BDBM50196081 SCHEMBL6128980 AXXMRDVYSRUCIM-UHFFFAOYSA-N |
Inchi Key | AXXMRDVYSRUCIM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H24N2O5/c1-2-3-4-7-14-25-18-9-6-5-8-17(18)20(26)19(22(25)28)21(27)24-16-12-10-15(11-13-16)23(29)30/h5-6,8-13,26H,2-4,7,14H2,1H3,(H,24,27)(H,29,30) |
PubChem CID | 57331381 |
ChEMBL | CHEMBL3971451 |
IUPHAR | N/A |
BindingDB | 50196081 |
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 |
---|---|---|---|---|---|
536432 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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