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Ligand

NameCHEMBL237077
Molecular formulaC12H16N2O4
IUPAC name4-(3-methylbutan-2-ylamino)-3-nitrobenzoic acid
Molecular weight252.27
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.6
SynonymsAKOS009001697
SCHEMBL6043889
Inchi KeyNKIPJFDNKXCEBX-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H16N2O4/c1-7(2)8(3)13-10-5-4-9(12(15)16)6-11(10)14(17)18/h4-8,13H,1-3H3,(H,15,16)
PubChem CID43085192
ChEMBLCHEMBL237077
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
225515Hydroxycarboxylic acid receptor 3P49019HCAR3Homo sapiens (Human)387

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