PRETOMANID

Search structure
Trade Names:
Synonyms:
Status: Approved (2019)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J04AK08
UNII: 2XOI31YC4N

Structure
InChI Key ZLHZLMOSPGACSZ-NSHDSACASA-N
Smile 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

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12F3N3O5
Molecular Weight 359.26
AlogP 2.67
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 88.65
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Tuberculosis 4 D014376 ClinicalTrials
Tuberculosis, Pulmonary 4 D014397 FDA
Tuberculosis, Multidrug-Resistant 3 D018088 ClinicalTrials
Tuberculosis, Multidrug-Resistant 3 D018088 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 187235-37-6
ChEMBL CHEMBL227875
DrugBank DB05154
DrugCentral 5344
EPA CompTox DTXSID8041163
FDA SRS 2XOI31YC4N
Guide to Pharmacology 11172
PubChem 456199
SureChEMBL SCHEMBL2983011
ZINC ZINC000003821675
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