Details of the Drug

General Information of Drug (ID: DM27BKD)

• Drug Name: RU78300
• Synonyms: RU78300; CHEMBL25186; 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE; Fragment 9; AC1NR9S0; C8H9O6P; BDBM14679; DB03306; 2-formyl-6-methoxyphenoxyphosphonic acid; Phosphoric acid 2-formyl-6-methoxyphenyl ester; (2-formyl-6-methoxyphenyl) 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); 232.13
  Logarithm of the Partition Coefficient (xlogp); -0.3
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C8H9O6P
  IUPAC Name: (2-formyl-6-methoxyphenyl) dihydrogen phosphate
  Canonical SMILES: COC1=CC=CC(=C1OP(=O)(O)O)C=O
  InChI: InChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12)
  InChIKey: CGEZBCISRKFHLZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5287488
  DrugBank ID: DB03306
  TTD ID: D02HOG

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.