Details of the Drug

General Information of Drug (ID: DMTLOU6)

Drug Name
CLEBOPRIDE
Synonyms
Clebopride; 55905-53-8; Cleboril; Clebopridum [INN-Latin]; Cleboprida [INN-Spanish]; 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide; UNII-I0A84520Y9; LAS 9273; EINECS 259-885-9; C20H24ClN3O2; BRN 0493934; CHEMBL325109; I0A84520Y9; 4-Amino-N-(1-benzyl-4-piperidyl)-5-chloro-o-anisamide; clebopride malate; 4-Amino-5-chloro-2-methoxy-N-(1-benzyl-4-piperidyl)benzamide; Clebopridum; Cleboprida; N-(1'-Benzyl-4'-piperidyl)-2-methoxy-4-amino-5-chlorobenzamide; BENZAMIDE, 4-AMINO-5-CHLORO-2-METHOXY-N-(1-(PHENYLMETHYL)-4
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 373.9
Topological Polar Surface Area (xlogp) 3.2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H24ClN3O2
IUPAC Name
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide
Canonical SMILES
COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl)N
InChI
InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
InChIKey
BVPWJMCABCPUQY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2780
ChEBI ID
CHEBI:92309
CAS Number
55905-53-8
DrugBank ID
DB13511
TTD ID
D0A2BE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Acetylcholinesterase (AChE) TT1RS9F ACES_HUMAN Inhibitor [2]
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D2 receptor (D2R) DTT DRD2 2.20E-03 -0.51 -1.35
Acetylcholinesterase (AChE) DTT ACHE 6.39E-02 -1.07 -1.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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