Details of the Drug

General Information of Drug (ID: DM1KBAY)

• Drug Name: A-93178
• Synonyms: A-93178.5

Indication

Disease Entry	ICD 11	Status	REF
Allergy	4A80-4A85	Terminated	[1]

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 432.5
  Logarithm of the Partition Coefficient (xlogp); 5.9
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C26H28N2O4
  IUPAC Name: (2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid
  Canonical SMILES: C/C(=N/OC(C1CCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)/C(=O)O
  InChI: InChI=1S/C26H28N2O4/c1-18(26(29)30)28-32-25(20-8-3-2-4-9-20)21-12-15-23(16-13-21)31-17-22-14-11-19-7-5-6-10-24(19)27-22/h5-7,10-16,20,25H,2-4,8-9,17H2,1H3,(H,29,30)/b28-18-
  InChIKey: USBHSZPRMPADOE-VEILYXNESA-N
• Cross-matching ID:
  PubChem CID: 101018054
  ChEBI ID: CHEMBL3350248
  TTD ID: D0IL8R
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 5-lipoxygenase activating protein (FLAP)	TTDMBF5	AL5AP_HUMAN	Modulator	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Allergy
• ICD Disease Classification: 4A80-4A85

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Arachidonate 5-lipoxygenase activating protein (FLAP)	DTT	ALOX5AP	9.89E-01	-0.06	-0.05

References

• [1] Characterization of A-93178, an iminoxy-quinoline inhibitor of leukotriene biosynthesis. Adv Exp Med Biol. 1997;433:91-4.