Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: B669M62ELP

Structure

InChI Key SULYVXZZUMRQAX-NSHDSACASA-N
Smile O=C1C=CN(c2c(F)cc(N3C[C@H](CNc4ccon4)OC3=O)c(F)c2F)CC1
InChI
InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H15F3N4O4
Molecular Weight 408.34
AlogP 2.82
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 87.91
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial 70S ribosome inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2E Cytochrome P450 2E1
- 9600 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Bacterial Infections 2 D001424 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3287379
DrugBank DB12796
FDA SRS B669M62ELP
Guide to Pharmacology 10795
PDB ZC0
PubChem 25184541
SureChEMBL SCHEMBL5945221