Details of the Drug

General Information of Drug (ID: DMDQVY4)

Drug Name
ABT-724
Synonyms 2-[4-(2-Pyridyl)piperazin-1-ylmethyl]-1H-benzimidazole maleate
Indication
Disease Entry ICD 11 Status REF
Erectile dysfunction HA01.1 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 293.4
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H19N5
IUPAC Name
2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
Canonical SMILES
C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=N4
InChI
InChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20)
InChIKey
FRPJGTNLZNXQEX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5025739
ChEBI ID
CHEBI:104134
CAS Number
70006-24-5
TTD ID
D03TNA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D4 receptor (D4R) TTE0A2F DRD4_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Erectile dysfunction
ICD Disease Classification HA01.1
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D4 receptor (D4R) DTT DRD4 1.90E-01 0.19 0.76
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800019657)
2 Activation of dopamine D4 receptors by ABT-724 induces penile erection in rats. Proc Natl Acad Sci U S A. 2004 April 27; 101(17): 6758-6763.