Details of the Drug

General Information of Drug (ID: DMT6J51)

Drug Name
(R)-zacopride
Synonyms
CHEMBL27846; UNII-38126EQF7A; 38126EQF7A; ZACOPRIDE,S; r-zacopride; (R)ZACOPRIDE; (R)-(+)-Zacopride; ZINC848; GTPL2288; SCHEMBL5387843; BDBM50031475; PDSP2_001683; PDSP1_001700; UNII-9GN3OT4156 component FEROPKNOYKURCJ-ZDUSSCGKSA-N; 4-Amino-N-(R)-1-aza-bicyclo[2.2.2]oct-3-yl-5-chloro-2-methoxy-benzamide; 4-amino-N-[(8R)-1-azabicyclo[2.2.2]octan-8-yl]-5-chloro-2-methoxybenzamide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 309.79
Topological Polar Surface Area (xlogp) 1.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H20ClN3O2
IUPAC Name
4-amino-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2-methoxybenzamide
Canonical SMILES
COC1=CC(=C(C=C1C(=O)N[C@H]2CN3CCC2CC3)Cl)N
InChI
InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m0/s1
InChIKey
FEROPKNOYKURCJ-ZDUSSCGKSA-N
Cross-matching ID
PubChem CID
9819593
CAS Number
123441-85-0
TTD ID
D0AJ3C

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 3 receptor (5HT3R) TTNXLKE NOUNIPROTAC Modulator [2]
5-HT 4 receptor (HTR4) TT07C3Y 5HT4R_HUMAN Modulator [2]
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
5-HT 4 receptor (HTR4) DTT HTR4 6.16E-01 -0.03 -0.24
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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