Details of the Drug

General Information of Drug (ID: DM09MY1)

• Drug Name: Phosphonotyrosine
• Synonyms: O(4)-phosphonato-L-tyrosine(2-); (2S)-2-ammonio-3-[4-(phosphonatooxy)phenyl]propanoate; Phosphotyrosine (pTyr); 4-O-phospho-L-tyrosine; CHEBI:62338; BDBM195583; CJ-23970

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 261.17
  Logarithm of the Partition Coefficient (xlogp); -2.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C9H12NO6P
  IUPAC Name: (2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid
  Canonical SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)N)OP(=O)(O)O
  InChI: InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
  InChIKey: DCWXELXMIBXGTH-QMMMGPOBSA-N
• Cross-matching ID:
  PubChem CID: 30819
  ChEBI ID: CHEBI:37788
  CAS Number: 21820-51-9
  UNII: 2R86C98KDX
  DrugBank ID: DB01962
  TTD ID: D0T5OS

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]
Tyrosine-protein kinase Kit (KIT)	TTX41N9	KIT_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
Tyrosine-protein kinase Kit (KIT)	DTT	KIT	2.06E-01	-0.1	-0.14

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.