Details of the Drug

General Information of Drug (ID: DM49F6Z)

• Drug Name: 5-heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione
• Synonyms: 5-HEPTYL-6-HYDROXY-1,3-BENZOTHIAZOLE-4,7-DIONE; AC1NRAPN; DB07636; 5-Heptyl-6-hydroxybenzothiazole-4,7-dione; 5-n-heptyl-6-hydroxy-4,7-dioxobenzothiazole

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); 279.36
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C14H17NO3S
  IUPAC Name: 5-heptyl-4-hydroxy-1,3-benzothiazole-6,7-dione
  Canonical SMILES: CCCCCCCC1=C(C2=C(C(=O)C1=O)SC=N2)O
  InChI: InChI=1S/C14H17NO3S/c1-2-3-4-5-6-7-9-11(16)10-14(19-8-15-10)13(18)12(9)17/h8,16H,2-7H2,1H3
  InChIKey: PJALLUJRPFUWAF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5288033
  CAS Number: 611207-02-4
  DrugBank ID: DB07636
  TTD ID: D0YF6S

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.