Structure

InChI Key BTTNOGHPGJANSW-IBGZPJMESA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Bacterial 70S ribosome inhibitor PubMed PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pneumonia 2 D011014 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 869884-78-6
ChEMBL CHEMBL455461
DrugBank DB12339
FDA SRS 53PC6LO35W
Guide to Pharmacology 10849
PDB RD8
PubChem 11224409
SureChEMBL SCHEMBL1035776
ZINC ZINC000040379938