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]
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Therapeutic Class

Antituberculosis Agents

ATC Code

J04AD01: Prothionamide

J04AD: Thiocarbamide derivatives

J04A: DRUGS FOR TREATMENT OF TUBERCULOSIS

J04: ANTIMYCOBACTERIALS

J: ANTIINFECTIVES FOR SYSTEMIC USE

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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
UNII: 76YOO33643
DrugBank ID: DB12667
TTD ID: D0L7UQ

Combinatorial Drugs (CBD)

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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