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
Structure
3D MOL 2D MOL
#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
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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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