Structure

InChI Key PMQBICKXAAKXAY-HNCPQSOCSA-N
Smile Cl.N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1
InChI
InChI=1S/C19H21ClFN3O3.ClH/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23;/h7,9-11H,1-6,8,22H2,(H,26,27);1H/t10-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22Cl2FN3O3
Molecular Weight 430.31
AlogP 3.14
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 88.56
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial DNA gyrase inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cataract 1 D002386 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Eye disorders
42.87
Injury, poisoning and procedural complications
16.85
Nervous system disorders
9.98
General disorders and administration site conditions
5.62
Skin and subcutaneous tissue disorders
5.17
Product issues
2.81
Gastrointestinal disorders
2.59
Infections and infestations
2.59
Immune system disorders
2.22

Cross References

Resources Reference
ChEMBL CHEMBL1201761
EPA CompTox DTXSID20193529
FDA SRS 7506A6J57T
PubChem 10224595
SureChEMBL SCHEMBL291598