Details of the Drug

General Information of Drug (ID: DMTNVFZ)

Drug Name

4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

Synonyms

252722-52-4; 4-(Piperazin-1-yl)-1H-pyrrolo[2,3-d]pyrimidine; 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine; 4-(1-Piperazinyl)-1H-pyrrolo[2,3-d]pyrimidine; CHEMBL595554; 1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine; 6J9; SCHEMBL2251760; DTXSID20592472; MolPort-028-913-269; BDBM50304819; AKOS022175220; AKOS016374229; MCULE-3871238079; ACM252722524; NS-02114; DB-067363; AX8159612; KB-186079; AJ-103002

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

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

203.24

Logarithm of the Partition Coefficient (xlogp)

0.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H13N5
IUPAC Name: 4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
Canonical SMILES: C1CN(CCN1)C2=NC=NC3=C2C=CN3
InChI: InChI=1S/C10H13N5/c1-2-12-9-8(1)10(14-7-13-9)15-5-3-11-4-6-15/h1-2,7,11H,3-6H2,(H,12,13,14)
InChIKey: LZSXQBNNRGZPES-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 18008465
CAS Number: 252722-52-4
TTD ID: D08YZM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2C receptor (HTR2C)	TTWJBZ5	5HT2C_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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 2C receptor (HTR2C)	DTT	HTR2C	1.02E-02	-0.45	-0.37
5-HT 2C receptor (HTR2C)	DTT	HTR2C	2.27E-01	0.27	0.6

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Design and synthesis of orally-active and selective azaindane 5HT2c agonist for the treatment of obesity. Bioorg Med Chem Lett. 2010 Jan 1;20(1):266-71.