Details of the Drug

General Information of Drug (ID: DM9GQP0)

• Drug Name: RU79072
• Synonyms: RU79072; 2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE; Fragment 14; 1o4h; AC1L9KXW; CHEMBL149603; BDBM14684; DB02762; (2-cyanoquinolin-8-yl)oxyphosphonic acid; Phosphoric acid 2-cyano-8-quinolinyl ester; [(2-cyanoquinolin-8-yl)oxy]phosphonic acid; (2-cyanoquinolin-8-yl) dihydrogen phosphate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 250.15
  Logarithm of the Partition Coefficient (xlogp); 0.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C10H7N2O4P
  IUPAC Name: (2-cyanoquinolin-8-yl) dihydrogen phosphate
  Canonical SMILES: C1=CC2=C(C(=C1)OP(=O)(O)O)N=C(C=C2)C#N
  InChI: InChI=1S/C10H7N2O4P/c11-6-8-5-4-7-2-1-3-9(10(7)12-8)16-17(13,14)15/h1-5H,(H2,13,14,15)
  InChIKey: NQLPTOOPFMPCHQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 447532
  DrugBank ID: DB02762
  TTD ID: D0U8UH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Proto-oncogene c-Src (SRC)	TT6PKBN	SRC_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Proto-oncogene c-Src (SRC)	DTT	SRC	6.45E-01	-0.08	-0.58
Proto-oncogene c-Src (SRC)	DTT	SRC	2.08E-03	-0.52	-1.62

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.