Details of the Drug

General Information of Drug (ID: DMUFR62)

Drug Name

N-benzyl-4-cyclopentylpiperazine-1-carboxamide

Synonyms

CHEMBL219757; N-benzyl-4-cyclopentylpiperazine-1-carboxamide; MolPort-009-268-235; ZINC32779618; BDBM50193214; AKOS027663191; MCULE-5408375837; Z332433676

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)

287.4

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C17H25N3O
IUPAC Name: N-benzyl-4-cyclopentylpiperazine-1-carboxamide
Canonical SMILES: C1CCC(C1)N2CCN(CC2)C(=O)NCC3=CC=CC=C3
InChI: InChI=1S/C17H25N3O/c21-17(18-14-15-6-2-1-3-7-15)20-12-10-19(11-13-20)16-8-4-5-9-16/h1-3,6-7,16H,4-5,8-14H2,(H,18,21)
InChIKey: HVJJGTXESXSGPU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 40012125
TTD ID: D0S5VI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H3 receptor (H3R)	TT9JNIC	HRH3_HUMAN	Inhibitor	[1]

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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
Histamine H3 receptor (H3R)	DTT	HRH3	3.62E-02	-0.09	-0.22

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Ureas with histamine H3-antagonist receptor activity--a new scaffold discovered by lead-hopping from cinnamic acid amides. Bioorg Med Chem Lett. 2006 Oct 15;16(20):5303-8.