REBAMIPIDE

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Synonyms
Status
Molecule Category Free-form
ATC A02BX14
UNII LR583V32ZR
EPA CompTox DTXSID8045937

Structure

InChI Key ALLWOAVDORUJLA-UHFFFAOYSA-N
Smiles O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1
InChI
InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H15ClN2O4
Molecular Weight 370.79
AlogP 2.61
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 99.26
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 97.98-109.2
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 97.98-109.2

Cross References

Resources Reference
ChEBI 93814
ChEMBL CHEMBL1697771
DrugBank DB11656
DrugCentral 2360
FDA SRS LR583V32ZR
Guide to Pharmacology 871
PubChem 5042
SureChEMBL SCHEMBL221527
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