MACOZINONE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: A3M1353L40

Structure
InChI Key BJDZBXGJNBMCAV-UHFFFAOYSA-N
Smile O=c1nc(N2CCN(CC3CCCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12
InChI
InChI=1S/C20H23F3N4O3S/c21-20(22,23)14-10-15-17(16(11-14)27(29)30)31-19(24-18(15)28)26-8-6-25(7-9-26)12-13-4-2-1-3-5-13/h10-11,13H,1-9,12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23F3N4O3S
Molecular Weight 456.49
AlogP 4.29
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 79.58
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 3770 - - -
Enzyme Oxidoreductase
- 10 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 41-42

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Tuberculosis 2 D014376 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3330226
DrugBank DB14821
FDA SRS A3M1353L40
PubChem 57331386
SureChEMBL SCHEMBL6128230
ZINC ZINC000141433347
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