Details of the Drug

General Information of Drug (ID: DM2GHCR)

Drug Name

Rebamipide

Synonyms

rebamipide; 90098-04-7; Mucosta; Proamipide; 111911-87-6; OPC-12759; Rebamipidum; Pramipide; Rebamipide [INN:JAN]; Rebamipidum [INN-Latin]; Rebamipida [INN-Spanish]; OPC 12759; CCRIS 3585; Rebamipide hydrate; 2-(4-Chlorobenzoylamino)-3-(1,2-dihydro-2-oxo-4-quinolyl)propionic acid; 139344-42-6; 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid; Mucosta hydrate; NCGC00095161-01; Proamipide hydrate; 2-(4-Chlorobenzamido)-3-[2(1H)-quinolinon-4-yl]propionic Acid

Indication

Disease Entry	ICD 11	Status	REF
Peptic ulcer	DA61	Phase 3	[1], [2]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

370.8

Topological Polar Surface Area (xlogp)

2.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 4: low solubility and low permeability [3]

Chemical Identifiers

Formula: C19H15ClN2O4
IUPAC Name: 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl
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)
InChIKey: ALLWOAVDORUJLA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5042
ChEBI ID: CHEBI:93814
CAS Number: 90098-04-7
DrugBank ID: DB11656
TTD ID: D03BQP
INTEDE ID: DR1399

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
N-formyl peptide receptor (FPR1)	TT5Y4EM	FPR1_HUMAN	Antagonist	[4]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)_{Main DME}	DE4LYSA	CP3A4_HUMAN	Substrate	[5]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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3	BDDCS predictions, self-correcting aspects of BDDCS assignments, BDDCS assignment corrections, and classification for more than 175 additional drugs
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