clebopride Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
sulpiride derivatives 670 55905-53-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • clebopride
  • clebopride maleate
antidopaminergic; RN given refers to parent cpd; structure
  • Molecular weight: 373.88
  • Formula: C20H24ClN3O2
  • CLOGP: 2.61
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 2
  • TPSA: 67.59
  • ALOGS: -4.28
  • ROTB: 5

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC A03FA06 ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
PROPULSIVES
Propulsives
MeSH PA D000932 Antiemetics
MeSH PA D002491 Central Nervous System Agents
MeSH PA D005765 Gastrointestinal Agents
MeSH PA D018373 Peripheral Nervous System Agents

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 10.44 acidic
pKa2 7.98 Basic
pKa3 1.0 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Acetylcholinesterase Enzyme IC50 6.05 CHEMBL
D(2) dopamine receptor GPCR Ki 7.92 CHEMBL
D(4) dopamine receptor GPCR Ki 8.49 CHEMBL
D(3) dopamine receptor GPCR Ki 7.98 CHEMBL
Potassium voltage-gated channel subfamily H member 2 Ion channel IC50 6.22 CHEMBL
D(1A) dopamine receptor GPCR Ki 5.22 CHEMBL
5-hydroxytryptamine receptor 4 GPCR Ki 6.98 CHEMBL
Serotonin 2 (5-HT2) receptor GPCR Ki 7.05 CHEMBL
Adrenergic receptor alpha-2 GPCR Ki 6.22 CHEMBL
5-hydroxytryptamine receptor 4 GPCR Ki 6.98 CHEMBL
D(2) dopamine receptor GPCR Ki 8.95 CHEMBL

External reference:

IDSource
D03534 KEGG_DRUG
84370-95-6 SECONDARY_CAS_RN
C0055869 UMLSCUI
CHEBI:92309 CHEBI
CHEMBL325109 ChEMBL_ID
CHEMBL1599248 ChEMBL_ID
DB13511 DRUGBANK_ID
C014417 MESH_SUPPLEMENTAL_RECORD_UI
2780 PUBCHEM_CID
3699 INN_ID
I0A84520Y9 UNII
21224 RXNORM
006633 NDDF
006634 NDDF

Pharmaceutical products:

None