Details of the Drug

General Information of Drug (ID: DMXAK92)

• Drug Name: RU78299
• Synonyms: RU78299; CHEMBL421138; 2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE; Fragment 11; AC1NR9QK; C9H9O6P; BDBM14681; DB03828; 2,6-diformyl-4-methylphenoxyphosphonic acid; (2,6-diformyl-4-methylphenyl) 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); 244.14
  Logarithm of the Partition Coefficient (xlogp); -0.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C9H9O6P
  IUPAC Name: (2,6-diformyl-4-methylphenyl) dihydrogen phosphate
  Canonical SMILES: CC1=CC(=C(C(=C1)C=O)OP(=O)(O)O)C=O
  InChI: InChI=1S/C9H9O6P/c1-6-2-7(4-10)9(8(3-6)5-11)15-16(12,13)14/h2-5H,1H3,(H2,12,13,14)
  InChIKey: NAYNUXXSJZLKPW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5287465
  DrugBank ID: DB03828
  TTD ID: D0D1FK

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.