Details of the Drug

General Information of Drug (ID: DMLFNMB)

Drug Name
ZD-2486
Synonyms ZD-2486; CHEMBL118090; SCHEMBL5144316; BDBM50092099; 3-Methyl-4-[4-(4-pyridin-4-yl-piperazin-1-yl)-phenoxy]-butyric acid (ZD 2486)
Indication
Disease Entry ICD 11 Status REF
Angina pectoris BA40 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 355.4
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C20H25N3O3
IUPAC Name
(3R)-3-methyl-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid
Canonical SMILES
C[C@H](CC(=O)O)COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=NC=C3
InChI
InChI=1S/C20H25N3O3/c1-16(14-20(24)25)15-26-19-4-2-17(3-5-19)22-10-12-23(13-11-22)18-6-8-21-9-7-18/h2-9,16H,10-15H2,1H3,(H,24,25)/t16-/m1/s1
InChIKey
RVVTUJLHUHZYOD-MRXNPFEDSA-N
Cross-matching ID
PubChem CID
9906649
TTD ID
D06LGC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glycoprotein IIb/IIIa receptor (GPIIb/IIIa) TT38RM1 ITA2B_HUMAN ; ITB3_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Angina pectoris
ICD Disease Classification BA40
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glycoprotein IIb/IIIa receptor (GPIIb/IIIa) DTT ITGA2B; ITGB3 7.83E-01 -0.11 -0.45
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 800006364)
2 Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.