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Ligand

Name3-nitro-4-(pyrrolidin-1-yl)benzoic acid
Molecular formulaC11H12N2O4
IUPAC name3-nitro-4-pyrrolidin-1-ylbenzoic acid
Molecular weight236.227
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.9
SynonymsAJ-47155
CTK4I3855
MKTQASLRSMDHRE-UHFFFAOYSA-N
TR-048393
3-nitro-4-pyrrolidinylbenzoic acid
[ Show all ]
Inchi KeyMKTQASLRSMDHRE-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H12N2O4/c14-11(15)8-3-4-9(10(7-8)13(16)17)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,14,15)
PubChem CID3671930
ChEMBLCHEMBL235167
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
207908Hydroxycarboxylic acid receptor 3P49019HCAR3Homo sapiens (Human)387

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