Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01XX11
UNII: 97HLQ82NGL

Structure

InChI Key XFALPSLJIHVRKE-GFCCVEGCSA-N
Smile Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1
InChI
InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H15FN6O3
Molecular Weight 370.34
AlogP 1.4
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 106.26
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial 70S ribosome inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 5700 - - -
Enzyme Transferase
- - - - 14.33
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 67.93-86.79

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infections 2 D007239 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 856866-72-3
ChEBI 82717
ChEMBL CHEMBL1257051
DrugBank DB14569
EPA CompTox DTXSID10234975
FDA SRS 97HLQ82NGL
Guide to Pharmacology 10865
PDB U7V
PubChem 11234049
SureChEMBL SCHEMBL440398
ZINC ZINC000043100956