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]
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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: CHEBI:92833
CAS Number: 3605-01-4
DrugBank ID: DB12478
TTD ID: D07GXY

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.