Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: G55ZH52P57

Structure

InChI Key GTUIRORNXIOHQR-VIFPVBQESA-N
Smile C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1
InChI
InChI=1S/C17H16F3N3O5S/c1-9-8-27-16(28-9)2-4-22(5-3-16)15-21-14(24)11-6-10(17(18,19)20)7-12(23(25)26)13(11)29-15/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H16F3N3O5S
Molecular Weight 431.39
AlogP 3.32
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 94.8
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Tuberculosis, Pulmonary 2 D014397 ClinicalTrials
Tuberculosis 2 D014376 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1822872
EPA CompTox DTXSID80151286
FDA SRS G55ZH52P57
PubChem 42609849
SureChEMBL SCHEMBL2488829
ZINC ZINC000043208590