EcoDrugPlus


Trade Names	PRETOMANID
Synonyms	PA 824 PA-824 PA824 Pretomanid
Status
Molecule Category	Free-form
ATC	J04AK08
UNII	2XOI31YC4N
EPA CompTox	DTXSID8041163


InChI Key	ZLHZLMOSPGACSZ-NSHDSACASA-N
Smiles	O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2
InChI	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

Property Name	Value
Molecular Formula	C14H12F3N3O5
Molecular Weight	359.26
AlogP	2.67
Hydrogen Bond Acceptor	7.0
Number of Rotational Bond	5.0
Polar Surface Area	88.65
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	25.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Mycobacterium tuberculosis	-	900	-	-	-
Mycobacterium tuberculosis H37Rv	-	400	-	-	99-100

Resources	Reference
ChEMBL	CHEMBL227875
DrugBank	DB05154
DrugCentral	5344
FDA SRS	2XOI31YC4N
Guide to Pharmacology	11172
PubChem	456199
SureChEMBL	SCHEMBL2983011
ZINC	ZINC000003821675

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

PRETOMANID

Structure

Physicochemical Descriptors

Pharmacology

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