Details of the Drug

General Information of Drug (ID: DMTHZ3B)

• Drug Name: DPI59
• Synonyms: DPI59; HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID; [(S)-hydroxy(naphthalen-1-yl)methyl]phosphonic acid; I59; 1o4g; AC1L9KXU

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); 238.18
  Logarithm of the Partition Coefficient (xlogp); 0.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C11H11O4P
  IUPAC Name: [(S)-hydroxy(naphthalen-1-yl)methyl]phosphonic acid
  Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2[C@@H](O)P(=O)(O)O
  InChI: InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H,(H2,13,14,15)/t11-/m0/s1
  InChIKey: AXIBZLYWMBUYRV-NSHDSACASA-N
• Cross-matching ID:
  PubChem CID: 447531
  DrugBank ID: DB03217
  TTD ID: D0N4FS

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.