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

Stem definition	Drug id	CAS RN
sulpiride derivatives	670	55905-53-8

Description:

Molecule

Description

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:

Source	Code	Description
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 level	Dissociation constant	Type (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:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Mechanism action	Bioact source	MoA source
Acetylcholinesterase	Enzyme	P22303	ACES_HUMAN		IC50	6.05		CHEMBL
D(2) dopamine receptor	GPCR	P14416	DRD2_HUMAN		Ki	7.92		CHEMBL
D(4) dopamine receptor	GPCR	P21917	DRD4_HUMAN		Ki	8.49		CHEMBL
D(3) dopamine receptor	GPCR	P35462	DRD3_HUMAN		Ki	7.98		CHEMBL
Potassium voltage-gated channel subfamily H member 2	Ion channel	Q12809	KCNH2_HUMAN		IC50	6.22		CHEMBL
D(1A) dopamine receptor	GPCR		DRD1_BOVIN		Ki	5.22		CHEMBL
5-hydroxytryptamine receptor 4	GPCR		5HT4R_CAVPO		Ki	6.98		CHEMBL
Serotonin 2 (5-HT2) receptor	GPCR		5HT2A_RAT 5HT2B_RAT 5HT2C_RAT		Ki	7.05		CHEMBL
Adrenergic receptor alpha-2	GPCR		ADA2A_RAT ADA2B_RAT ADA2C_RAT		Ki	6.22		CHEMBL
5-hydroxytryptamine receptor 4	GPCR		5HT4R_RAT		Ki	6.98		CHEMBL
D(2) dopamine receptor	GPCR		DRD2_RAT		Ki	8.95		CHEMBL

External reference:

ID	Source
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