Details of the Drug

General Information of Drug (ID: DMX0EZJ)

Drug Name
Prothionamide
Synonyms
Ektebin; Peteha; Prothionamidum; Protionamid; Protionamida; Protionamide; Protionamidum; Protionizina; Tebeform; Trevintix; Tuberex; RP 9778; TH 1321; Prothionamide (JP15); Protionamida [INN-Spanish]; Protionamide (INN); Protionamide [INN:DCF]; Protionamidum [INN-Latin]; TH-1321; Trevintix (TN); 2-Propyl-4-pyridinecarbothioamide; 2-Propyl-4-thiocarbamoylpyridine; 2-Propyl-thioisonicotinamide; 2-Propylisonicotinylthioamide; 2-Propylthioisonicotinamide; 2-propylpyridine-4-carbothioamide; 4-Pyridinecarbothioamide, 2-propyl-(9CI); 9778 R.P; 9778 R.P.
Indication
Disease Entry ICD 11 Status REF
Tuberculosis 1B10-1B1Z Approved [1]
Therapeutic Class
Antituberculosis Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 180.27
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Bioavailability
99% of drug becomes completely available to its intended biological destination(s) [2]
Chemical Identifiers
Formula
C9H12N2S
IUPAC Name
2-propylpyridine-4-carbothioamide
Canonical SMILES
CCCC1=NC=CC(=C1)C(=S)N
InChI
InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)
InChIKey
VRDIULHPQTYCLN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
666418
ChEBI ID
CHEBI:32066
CAS Number
14222-60-7
DrugBank ID
DB12667
TTD ID
D0L7UQ
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Fatty acid synthetase I (Bact inhA) TTVTX4N INHA_MYCTU Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Mechanism of thioamide drug action against tuberculosis and leprosy. J Exp Med. 2007 Jan 22;204(1):73-8.
2 Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches