Details of the Drug

General Information of Drug (ID: DMWKTYC)

• Drug Name: RU79073
• Synonyms: RU79073; 1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE; Fragment 12; 1o4f; AC1NR9W0; CHEMBL358860; BDBM14682; DB03525; 1,2,3,4-tetrahydroquinolin-8-yloxyphosphonic acid; (1,2,3,4-tetrahydroquinolin-8-yloxy)phosphonic acid; Phosphoric acid 1,2,3,4-tetrahydroquinoline-8-yl ester

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); 229.17
  Logarithm of the Partition Coefficient (xlogp); 0.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C9H12NO4P
  IUPAC Name: 1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate
  Canonical SMILES: C1CC2=C(C(=CC=C2)OP(=O)(O)O)NC1
  InChI: InChI=1S/C9H12NO4P/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10H,2,4,6H2,(H2,11,12,13)
  InChIKey: NSJSAHCLJYVEDM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5287550
  DrugBank ID: DB03525
  TTD ID: D0U5KF

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.