Details of the Drug

General Information of Drug (ID: DM73SC6)

Drug Name
SK509
Synonyms
Tetrachlorosalicylanilide; 7426/7/5; 2,3,4,5-tetrachloro-6-hydroxy-n-phenylbenzamide; AC1L3YOY; C11274; AC1Q3L4M; SCHEMBL999269; CHEBI:9473; CTK2H9174; DTXSID90225265; 2-Hydroxy-3,4,5,6-tetrachlorobenzanilide; 2,3,4,5-tetrachloro-6-hydroxy-N-phenyl-benzamide
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) 351
Logarithm of the Partition Coefficient (xlogp) 5.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H7Cl4NO2
IUPAC Name
2,3,4,5-tetrachloro-6-hydroxy-N-phenylbenzamide
Canonical SMILES
C1=CC=C(C=C1)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)O
InChI
InChI=1S/C13H7Cl4NO2/c14-8-7(12(19)11(17)10(16)9(8)15)13(20)18-6-4-2-1-3-5-6/h1-5,19H,(H,18,20)
InChIKey
BDOBMVIEWHZYDL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
124579
ChEBI ID
CHEBI:9473
CAS Number
7426-07-5
TTD ID
D00MZS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Sporulation kinase A (Bact kinA) TTJVCG0 KINA_BACSU Inhibitor [1]
Coagulation factor Xa (F10) TTCIHJA FA10_HUMAN Inhibitor [2]
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
Coagulation factor Xa (F10) DTT F10 4.84E-02 -0.28 -0.9
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Histidine kinases as targets for new antimicrobial agents. Bioorg Med Chem. 2002 Apr;10(4):855-67.
2 The design and synthesis of noncovalent factor Xa inhibitors. Curr Top Med Chem. 2001 Jun;1(2):137-49.