Details of the Drug

General Information of Drug (ID: DMNM8VY)

Drug Name

4-(piperazin-1-yl)furo[3,2-c]pyridine

Synonyms

4-(piperazin-1-yl)furo[3,2-c]pyridine; 81078-84-4; 4-PIPERAZIN-1-YL-FURO[3,2-C]PYRIDINE; 1-{furo[3,2-c]pyridin-4-yl}piperazine; CHEMBL595555; Furo[3,2-c]pyridine, 4-(1-piperazinyl)-; AK-76639; CHEMBL543969; PubChem17312; AC1MDRY3; SCHEMBL1026755; KS-00000EXO; CTK5E8449; DTXSID10383432; MolPort-000-145-249; LUIZVTKJWSGSPA-UHFFFAOYSA-N; ZINC4287704; 4-piperazinylfurano[3,2-c]pyridine; ANW-49259; BDBM50016972; SBB093149; 4-piperazin-1-ylfuro[3,2-c]pyridine; AKOS015919593; FS-3269; 1-(4-furo[3,2-c]pyridinyl)piperazine

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)

1.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C11H13N3O
IUPAC Name: 4-piperazin-1-ylfuro[3,2-c]pyridine
Canonical SMILES: C1CN(CCN1)C2=NC=CC3=C2C=CO3
InChI: InChI=1S/C11H13N3O/c1-3-13-11(9-2-8-15-10(1)9)14-6-4-12-5-7-14/h1-3,8,12H,4-7H2
InChIKey: LUIZVTKJWSGSPA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2794808
CAS Number: 81078-84-4
TTD ID: D04VXP

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

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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.