Details of the Drug

General Information of Drug (ID: DMR8I03)

• Drug Name: RU78262
• Synonyms: RU78262; 2-FORMYLPHENYL DIHYDROGEN PHOSPHATE; CHEMBL286678; 2-phosphonooxy-benzaldehyde; Fragment 10; AC1NR9QH; C7H7O5P; 2-formylphenoxyphosphonic acid; SCHEMBL3514846; BDBM14680; Phosphoric acid 2-formylphenyl ester; (2-formylphenyl) dihydrogen phosphate; DB01947

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); 202.1
  Logarithm of the Partition Coefficient (xlogp); 0.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C7H7O5P
  IUPAC Name: (2-formylphenyl) dihydrogen phosphate
  Canonical SMILES: C1=CC=C(C(=C1)C=O)OP(=O)(O)O
  InChI: InChI=1S/C7H7O5P/c8-5-6-3-1-2-4-7(6)12-13(9,10)11/h1-5H,(H2,9,10,11)
  InChIKey: BYNSFVCWJXZPOW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5287463
  DrugBank ID: DB01947
  TTD ID: D0AJ4T

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.