Structure

InChI Key BTTNOGHPGJANSW-IBGZPJMESA-N
Smiles CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cnn[nH]4)cc3)c(F)c2)C(=O)O1
InChI
InChI=1S/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18-6-7-20(21(23)8-18)16-4-2-15(3-5-16)9-24-10-17-11-26-28-27-17/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,30)(H,26,27,28)/t19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23FN6O3
Molecular Weight 438.46
AlogP 2.36
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 112.24
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR PubMed PubMed PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Staphylococcus aureus
- 20-30 - - -

Cross References

Resources Reference
ChEMBL CHEMBL455461
DrugBank DB12339
FDA SRS 53PC6LO35W
Guide to Pharmacology 10849
PDB RD8
PubChem 11224409
SureChEMBL SCHEMBL1035776
ZINC ZINC000040379938