Structure

InChI Key IDIIJJHBXUESQI-DFIJPDEKSA-N
Smile COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl
InChI
InChI=1S/C21H24FN3O4.ClH/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H/t11-,16+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25ClFN3O4
Molecular Weight 437.9
AlogP 2.37
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 83.8
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial DNA gyrase inhibitor DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Bronchitis, Chronic 4 D029481 ClinicalTrials
Pelvic Inflammatory Disease 3 D000292 ClinicalTrials
Communicable Diseases 3 D003141 ClinicalTrials
Graft vs Host Disease 2 D006086 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Cataract 1 D002386 ClinicalTrials
Muscular Dystrophy, Duchenne 1 D020388 ClinicalTrials
Cystic Fibrosis 1 D003550 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
16.56
General disorders and administration site conditions
10.33
Psychiatric disorders
8.53
Musculoskeletal and connective tissue disorders
7.22
Eye disorders
7.19
Skin and subcutaneous tissue disorders
7.13
Injury, poisoning and procedural complications
6.92
Cardiac disorders
5.13
Respiratory, thoracic and mediastinal disorders
4.99
Gastrointestinal disorders
4.9
Vascular disorders
4.58
Immune system disorders
4.29
Investigations
2.85
Infections and infestations
2.84

Cross References

Resources Reference
ChEBI 7008
ChEMBL CHEMBL1200735
EPA CompTox DTXSID4045921
FDA SRS C53598599T
KEGG D08237
PDB FX
PubChem 101526
SureChEMBL SCHEMBL37285
ZINC ZINC03826253