Pretomanid (CED0005957)

Record Information

Version

1.0

Creation Date

2026-04-14 15:34:50 UTC

Update Date

2026-08-19 04:39:37 UTC

SynCED ID

CED0005957

Secondary Accession Numbers

CHEM129187

Identification

Common Name

Pretomanid

Class

Small Molecule

Description

Pretomanid is an organic compound with the chemical formula C14H12F3N3O5 and an average molecular weight of 359.26 g/mol. Pretomanid belongs to the benzylethers, a subclass of benzene and substituted derivatives within the organic compounds. This compound is identified in three recorded sources, including healthcare, pharmaceuticals and veterinary products as a drug for the treatment of tuberculosis, as well as electrical and electronic equipment specifically related to antennas and radio transmission systems. The recorded route of exposure for this substance is oral. Pretomanid interacts with seven recorded protein targets. It acts as an inhibitor or is otherwise associated with the enoyl-[acyl-carrier-protein] reductase [NADH] (inhA), the probable fatty acid synthase Fas (fas), the nucleoid-associated protein Lsr2 (lsr2), and the uncharacterized MFS-type transporter EfpA (efpA). Additionally, it targets three other proteins.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₄H₁₂F₃N₃O₅

Average Molecular Mass

359.257 g/mol

Monoisotopic Mass

359.073 g/mol

CAS Registry Number

187235-37-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[O-][N+](=O)C1=CN2C[C@@H](COC2=N1)OCC1=CC=C(OC(F)(F)F)C=C1

InChI Identifier

InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1

InChI Key

ZLHZLMOSPGACSZ-NSHDSACASA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

antimicrobial agent (PMC12587609 , PMC11015080 )?
antitubercular agent (PMC7576498 , PMC5010021 )?
antimycobacterial drug (PMC10247436 )?

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-02k9-6932000000-819d2defbc2d88df2648	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0009000000-48bbd62444af3fd4fe43	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0w2i-0009000000-71e344b3ceb82b7dbcfa	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a59-5910000000-1447f8cc1516dac746b5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0009000000-c9d930f5125dfe3974f1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0079-9100000000-ebb2b12619ae8b5544ef	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9100000000-ada32447bb86d77d6cc9	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
616.0 Log mg/kg [350:1100]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
tuberculosis	Not Available	Not Available	A primary bacterial infectious disease that is located in lungs, located in lymph nodes, located in pericardium, located in brain, located in pleura or located in gastrointestinal tract, has material basis in Mycobacterium tuberculosis, which is transmitted by droplets released into the air when an infected person coughs or sneezes. (DO)	PMC7576498 , PMC12287368
pulmonary tuberculosis	Not Available	Not Available	Not Available	PMC10247436
multidrug-resistant tuberculosis	Not Available	Not Available	Not Available	PMC7293824

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000349	Drugs for treatment of tuberculosis?Drugs used for the treatment of tuberculosis (TB), primarily including isoniazid, rifampicin, ethambutol, and pyrazinamide, are synthetic compounds developed to combat this infectious disease.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs01079	Tablet	Healthcare, pharmaceuticals & veterinary products	PMC10245392
CEDs01080	Capsule	Healthcare, pharmaceuticals & veterinary products	PMC10245392
CEDs01081	Tablets	Healthcare, pharmaceuticals & veterinary products	PMC10245392 , PMC10245392

Pathways

2 pathwaysPathway Source: PathBank

Pretomanid Drug Metabolism Action Pathway

Pretomanid Predicted Metabolism Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.345 Statistical Significance 0.224 Supporting Reference Compounds 1498 E-value 1743.74
Click to view 3D structure	Serine protease inhibitor A3N	Q91WP6	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.273 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 1 E-value 11.9888
Click to view 3D structure	Sodium channel protein type 5 subunit alpha	Q14524	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.345 Statistical Significance 0.0336 Supporting Reference Compounds 139 E-value 261.729
Click to view 3D structure	Serum paraoxonase/arylesterase 2	Q15165	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.28 Low confidence Statistical Significance 0.0039 Supporting Reference Compounds 2 E-value 30.2833
Click to view 3D structure	Serum paraoxonase/lactonase 3	Q15166	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.28 Low confidence Statistical Significance 0.0039 Supporting Reference Compounds 2 E-value 30.2833
Click to view 3D structure	Sodium channel protein type 9 subunit alpha	Q15858	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.345 Statistical Significance 0.0364 Supporting Reference Compounds 125 E-value 283.138
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P34914	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.28 Low confidence Statistical Significance 0.0148 Supporting Reference Compounds 29 E-value 115.295
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P34913	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.28 Low confidence Statistical Significance 0.0542 Supporting Reference Compounds 93 E-value 421.787
Click to view 3D structure	High affinity nerve growth factor receptor	P04629	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.295 Low confidence Statistical Significance 0.2817 Supporting Reference Compounds 869 E-value 2193.09
Click to view 3D structure	Triacylglycerol hydrolase DDHD2	O94830	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.256 Low confidence Statistical Significance 0.0033 Supporting Reference Compounds 1 E-value 25.5345
Click to view 3D structure	Plasminogen activator inhibitor 1	P20961	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.253 Low confidence Statistical Significance 0.0051 Supporting Reference Compounds 1 E-value 39.3917
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.28 Low confidence Statistical Significance 0.0704 Supporting Reference Compounds 106 E-value 548.059
Click to view 3D structure	Sodium channel protein type 2 subunit alpha	Q99250	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.259 Low confidence Statistical Significance 0.0333 Supporting Reference Compounds 63 E-value 259.549
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.263 Low confidence Statistical Significance 0.6557 Supporting Reference Compounds 1538 E-value 5104.65
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.263 Low confidence Statistical Significance 0.568 Supporting Reference Compounds 1130 E-value 4421.76
Click to view 3D structure	RAF proto-oncogene serine/threonine-protein kinase	P04049	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.263 Low confidence Statistical Significance 0.1913 Supporting Reference Compounds 263 E-value 1489.57
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.263 Low confidence Statistical Significance 0.4866 Supporting Reference Compounds 793 E-value 3787.91
Click to view 3D structure	Sodium channel protein type 10 subunit alpha	Q62968	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.345 Statistical Significance 0.0161 Supporting Reference Compounds 14 E-value 125.337
Click to view 3D structure	Sodium channel protein type 10 subunit alpha	Q9Y5Y9	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.259 Low confidence Statistical Significance 0.0334 Supporting Reference Compounds 38 E-value 260.328
Click to view 3D structure	BDNF/NT-3 growth factors receptor	Q16620	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.295 Low confidence Statistical Significance 0.4397 Supporting Reference Compounds 721 E-value 3423.03
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.263 Low confidence Statistical Significance 0.5323 Supporting Reference Compounds 825 E-value 4143.6
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.263 Low confidence Statistical Significance 0.6837 Supporting Reference Compounds 1245 E-value 5322.78
Click to view 3D structure	Arylacetamide deacetylase	P22760	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.28 Low confidence Statistical Significance 0.0041 Supporting Reference Compounds 3 E-value 31.6846
Click to view 3D structure	Sodium channel protein type 3 subunit alpha	Q9NY46	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.345 Statistical Significance 0.0274 Supporting Reference Compounds 31 E-value 213.307
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P80299	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.28 Low confidence Statistical Significance 0.0416 Supporting Reference Compounds 29 E-value 323.697