Details of the Drug

General Information of Drug (ID: DMXW1Y3)

• Drug Name: SKF-96067
• Synonyms: 115607-61-9; Skf-96067; F-96067; SKF96067; 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline; CHEMBL327717; SK-96067; 1-Butanone,1-[8-methoxy-4-[(2-methylphenyl)amino]-3-quinolinyl]-; 1-Butanone, 1-[8-methoxy-4-[(2-methylphenyl)amino]-3-quinolinyl]-; 1-Butanone, 1-(8-methoxy-4-((2-methylphenyl)amino)-3-quinolinyl)-; MAVJDLHBPIXVJL-UHFFFAOYSA-N; AC1MIWAF; ACMC-1BTM4; SCHEMBL451221; ZINC3665; CTK4A9399; DTXSID40151146; BDBM50001254; HY-U00042; 1-[8-METHOXY-4-[(2-METHYLPHENYL)AMINO]-3-QUINOLINYL]-1-BUTANONE

Indication

Disease Entry	ICD 11	Status	REF
Peptic ulcer	DA61	Discontinued in Phase 3	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 334.4
  Logarithm of the Partition Coefficient (xlogp); 5.1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C21H22N2O2
  IUPAC Name: 1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one
  Canonical SMILES: CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OC
  InChI: InChI=1S/C21H22N2O2/c1-4-8-18(24)16-13-22-21-15(10-7-12-19(21)25-3)20(16)23-17-11-6-5-9-14(17)2/h5-7,9-13H,4,8H2,1-3H3,(H,22,23)
  InChIKey: MAVJDLHBPIXVJL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3081087
  CAS Number: 115607-61-9
  TTD ID: D02THB

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 800001218)
• [2] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.