Details of the Drug

General Information of Drug (ID: DMS61KA)

Drug Name

CGP-29030A

Synonyms

1-[2-(4-Chlorophenyl)ethyl]-4-(3,5-dimethoxybenzoyl)piperazine hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

425.3

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

6

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: C21H26Cl2N2O3
IUPAC Name: [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
Canonical SMILES: COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCC3=CC=C(C=C3)Cl)OC.Cl
InChI: InChI=1S/C21H25ClN2O3.ClH/c1-26-19-13-17(14-20(15-19)27-2)21(25)24-11-9-23(10-12-24)8-7-16-3-5-18(22)6-4-16;/h3-6,13-15H,7-12H2,1-2H3;1H
InChIKey: OGLXGFIBROXFPU-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid B receptor (GABBR)	TTDCVZW	GABR1_HUMAN ; GABR2_HUMAN	Modulator	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Effects of a novel piperazine derivative (CGP 29030A) on nociceptive dorsal horn neurons in the rat. Drugs Exp Clin Res. 1992;18(11-12):447-59.