Details of the Drug

General Information of Drug (ID: DMFC8Q4)

Drug Name

4-Pyridin-2-yl-piperazine-1-carboxylic acid amide

Synonyms

CHEMBL296963; SCHEMBL1270156; CTK7D3440; BDBM50224176; AKOS000158821; 4-(2-pyridyl)piperazine-1-carboxamide

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)

206.24

Logarithm of the Partition Coefficient (xlogp)

0

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H14N4O
IUPAC Name: 4-pyridin-2-ylpiperazine-1-carboxamide
Canonical SMILES: C1CN(CCN1C2=CC=CC=N2)C(=O)N
InChI: InChI=1S/C10H14N4O/c11-10(15)14-7-5-13(6-8-14)9-3-1-2-4-12-9/h1-4H,5-8H2,(H2,11,15)
InChIKey: XYIDWLYTWKIZQC-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transient receptor potential cation channel V1 (TRPV1)	TTMI6F5	TRPV1_HUMAN	Inhibitor	[1]
Transient receptor potential cation channel V4 (TRPV4)	TTKP2SU	TRPV4_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	N-4-methansulfonamidobenzyl-N'-2-substituted-4-tert-butyl-benzyl thioureas as potent vanilloid receptor antagonistic ligands. Bioorg Med Chem Lett. 2004 Apr 5;14(7):1693-6.