Details of the Drug

General Information of Drug (ID: DMZ7I51)

Drug Name
TA-270
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 524.6
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 13
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C29H36N2O7
IUPAC Name
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-hydroxy-1-methyl-3-octoxy-2-oxoquinolin-7-yl)prop-2-enamide
Canonical SMILES
CCCCCCCCOC1=C(C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)O)OC)N(C1=O)C)O
InChI
InChI=1S/C29H36N2O7/c1-5-6-7-8-9-10-15-38-28-26(33)21-13-12-20(18-22(21)31(2)29(28)35)30-25(32)14-11-19-16-23(36-3)27(34)24(17-19)37-4/h11-14,16-18,33-34H,5-10,15H2,1-4H3,(H,30,32)/b14-11+
InChIKey
SZNJINHODJLULD-SDNWHVSQSA-N
Cross-matching ID
PubChem CID
54710630
TTD ID
D0L4SL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Asthma
ICD Disease Classification CA23
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Arachidonate 5-lipoxygenase (5-LOX) DTT ALOX5 4.15E-01 -0.06 -0.15
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 800010788)
2 TA-270 [4-hydroxy-1-methyl-3-octyloxy-7-sinapinoylamino-2(1H)-quinolinone], an anti-asthmatic agent, inhibits leukotriene production induced by IgE... J Pharmacol Exp Ther. 2003 Nov;307(2):583-8.