Details of the Drug

General Information of Drug (ID: DM74JL8)

• Drug Name: 5-n-undecyl-6-hydroxy-4,7-dioxobenzothiazole
• Synonyms: UHDBT; 6-Hydroxy-5-undecyl-4,7-benzothiazoledione; 43152-58-5; 5-n-undecyl-6-hydroxy-4,7-dioxobenzothiazole; 4,7-Benzothiazoledione, 6-hydroxy-5-undecyl-; 6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE; 3-UNDECYL-2-HYDROXYDIOXOBENZOTHIAZOL; AC1MI2XQ; SCHEMBL6672079; CTK1D6913; DB04799; 4-hydroxy-5-undecyl-1,3-benzothiazole-6,7-dione; 3-UNDECYL-2-HYDROXYDIOXOBENZOTHIAZOL

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); 335.5
  Logarithm of the Partition Coefficient (xlogp); 5.9
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C18H25NO3S
  IUPAC Name: 4-hydroxy-5-undecyl-1,3-benzothiazole-6,7-dione
  Canonical SMILES: CCCCCCCCCCCC1=C(C2=C(C(=O)C1=O)SC=N2)O
  InChI: InChI=1S/C18H25NO3S/c1-2-3-4-5-6-7-8-9-10-11-13-15(20)14-18(23-12-19-14)17(22)16(13)21/h12,20H,2-11H2,1H3
  InChIKey: VSIBLXWNANVQDH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3016416
  CAS Number: 43152-58-5
  DrugBank ID: DB04799
  TTD ID: D0N7NB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Cytochrome B (Malaria MT-CYB)	TTRAMF0	CYB_PLAFA	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.