SCH-900271

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII G2283XQ6VJ
EPA CompTox DTXSID00238609

Structure

InChI Key ARJKMWXLIHZLQZ-UHFFFAOYSA-N
Smiles CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1
InChI
InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H16N2O4
Molecular Weight 276.29
AlogP 1.29
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 95.93
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Hydroxycarboxylic acid receptor 2 agonist AGONIST PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Carboxylic acid receptor Hydroxycarboxylic acid receptor
2-96 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
5 - - - -
Homo sapiens
2-96 - - - -
Mus musculus
6 - - - -
Rattus norvegicus
8 - - - -

Target Conservation

Protein: Hydroxycarboxylic acid receptor 2
Description: Hydroxycarboxylic acid receptor 2
Organism : Homo sapiens
Q8TDS4 ENSG00000182782

Cross References

Resources Reference
ChEMBL CHEMBL2036958
DrugBank DB12433
FDA SRS G2283XQ6VJ
Guide to Pharmacology 8469
PubChem 56950369
SureChEMBL SCHEMBL12602910
ZINC ZINC000096902468
CONTENTS