Details of the Drug

General Information of Drug (ID: DMQ6P13)

• Drug Name: Phenylphosphate
• Synonyms: Phenylphosphoric acid; Phenylphosphate; Phenyl dihydrogen phosphate; 701-64-4; Phosphoric acid, monophenyl ester; Phenyl phosphate; phenol phosphate; MONOPHENYL PHOSPHATE; monophenylphosphate; Phenolic phosphate; UNII-75M88J863E; EINECS 211-857-7; CHEMBL26128; CHEBI:37548; CMPQUABWPXYYSH-UHFFFAOYSA-N; 75M88J863E; HPS; phenoxyphosphonic acid; Phosphoric acid phenyl; 1o4o; ACMC-1BB8F; Dihydrogen Phenyl Phosphate; AC1L20DG; DSSTox_RID_80630; DSSTox_CID_24981; SCHEMBL20263; DSSTox_GSID_44981; Phosphoric Acid Phenyl Ester; Phenyl dihydroge

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); 174.09
  Logarithm of the Partition Coefficient (xlogp); 0.3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C6H7O4P
  IUPAC Name: phenyl dihydrogen phosphate
  Canonical SMILES: C1=CC=C(C=C1)OP(=O)(O)O
  InChI: InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
  InChIKey: CMPQUABWPXYYSH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 12793
  ChEBI ID: CHEBI:37548
  CAS Number: 701-64-4
  DrugBank ID: DB03298
  TTD ID: D0S9LT

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] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.