Details of the Drug

General Information of Drug (ID: DM1XEUV)

• Drug Name: SKF-97574
• Synonyms: 3-Butyryl-4-(2-methylphenylamino)-8-(2-hydroxyethoxy)quinoline; SCHEMBL9264291; FOYCAZSJGNVMMS-UHFFFAOYSA-N; SKF 97574; F-97574; 3-butyryl-4-(2-methylphenylamino)-8-(2-hydroxyethoxy)quinoline hydrochloride; 1-(8-(2-Hydroxyethoxy)-4-((2-methylphenyl)amino)-3-quinolinyl)-1-butanone monohydrochloride; 1-Butanone, 1-(8-(2-hydroxyethoxy)-4-((2-methylphenyl)amino)-3-quinolinyl)-, monohydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Peptic ulcer	DA61	Discontinued in Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 364.4
  Logarithm of the Partition Coefficient (xlogp); 4.4
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H24N2O3
  IUPAC Name: 1-[8-(2-hydroxyethoxy)-4-(2-methylanilino)quinolin-3-yl]butan-1-one
  Canonical SMILES: CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OCCO
  InChI: InChI=1S/C22H24N2O3/c1-3-7-19(26)17-14-23-22-16(9-6-11-20(22)27-13-12-25)21(17)24-18-10-5-4-8-15(18)2/h4-6,8-11,14,25H,3,7,12-13H2,1-2H3,(H,23,24)
  InChIKey: BMCBJKLELCZGBF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9887258
  TTD ID: D0R2EY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gastric H(+)/K(+) ATPase (Proton pump)	TTLOKXP	ATP4A_HUMAN ; ATP4B_HUMAN	Modulator	[2]

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 800001921)
• [2] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.