Details of the Drug

General Information of Drug (ID: DMNP6QD)

Drug Name
piribedil
Synonyms
piribedil; 3605-01-4; Trivastal; Trivastan; 2-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)pyrimidine; ET 495; ET-495; EU-4200; EU 4200; 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine; Piribedile [DCIT]; Piribedil [INN:DCF]; Piribedilum [INN-Latin]; UNII-DO22K1PRDJ; DO22K1PRDJ; 1-(2-Pyrimidyl)-4-piperonylpiperazine; 2-(4-Piperonyl-1-piperazinyl)pyrimidine; Pyrimidine, 2-(4-piperonyl-1-piperazinyl)-; OQDPVLVUJFGPGQ-UHFFFAOYSA-N; EINECS 222-764-6; 2-(4-(3,4-Methylenedioxybenzyl)piperazino)pyrimidine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
ATC Code
N04BC08: piribedil
N04BC: Dopamine agonists
N04B: DOPAMINERGIC AGENTS
N04: ANTI-PARKINSON DRUGS
N: NERVOUS SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 298.34
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C16H18N4O2
IUPAC Name
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine
Canonical SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4
InChI
InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
InChIKey
OQDPVLVUJFGPGQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4850
ChEBI ID
CHEMBL1371770
CAS Number
3605-01-4
UNII
DO22K1PRDJ
DrugBank ID
DB12478
TTD ID
D07GXY
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1A receptor (HTR1A) TTSQIFT 5HT1A_HUMAN Agonist [2]
5-HT 2B receptor (HTR2B) TT0K1SC 5HT2B_HUMAN Antagonist [2]
Adrenergic receptor alpha-2C (ADRA2C) TT2NUT5 ADA2C_HUMAN Antagonist [2]
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Agonist [2]
Dopamine D3 receptor (D3R) TT4C8EA DRD3_HUMAN Agonist [2]
Dopamine D4 receptor (D4R) TTE0A2F DRD4_HUMAN Antagonist [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 1A receptor (HTR1A) DTT HTR1A 1.49E-05 -0.22 -0.58
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Adrenergic receptor alpha-2C (ADRA2C) DTT ADRA2C 1.76E-01 -0.06 -0.28
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 49).
2 Differential actions of antiparkinson agents at multiple classes of monoaminergic receptor. I. A multivariate analysis of the binding profiles of 14 drugs at 21 native and cloned human receptor subtypes. J Pharmacol Exp Ther. 2002 Nov;303(2):791-804.