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Name | 4-(sec-butylamino)-3-nitrobenzoic acid |
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Molecular formula | C11H14N2O4 |
IUPAC name | 4-(butan-2-ylamino)-3-nitrobenzoic acid |
Molecular weight | 238.243 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.1 |
Synonyms | 3-nitro-4-(sec-butylamino)benzoic acid 4-SEC-BUTYLAMINO-3-NITRO-BENZOIC ACID Oprea1_761905 AKOS015965452 4-(2-butyl)amino-3-nitrobenzoic acid [ Show all ] |
Inchi Key | DQBNOZHZXARJLB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C11H14N2O4/c1-3-7(2)12-9-5-4-8(11(14)15)6-10(9)13(16)17/h4-7,12H,3H2,1-2H3,(H,14,15) |
PubChem CID | 11528819 |
ChEMBL | CHEMBL391473 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
66128 | Hydroxycarboxylic acid receptor 3 | P49019 | HCAR3 | Homo sapiens (Human) | 387 |
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