Synonyms
Status
Molecule Category Free-form
ATC J01MA18
UNII 4CZ1R38NDI
EPA CompTox DTXSID5046697

Structure

InChI Key XAGMUUZPGZWTRP-ZETCQYMHSA-N
Smiles C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
InChI
InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)/t7-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15FN2O4
Molecular Weight 318.3
AlogP 1.74
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 94.55
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Bacterial DNA gyrase inhibitor INHIBITOR Other

Target Conservation

Protein: DNA topoisomerase II

Description: DNA topoisomerase 2-alpha

Organism : Homo sapiens

P11388 ENSG00000131747
Protein: DNA topoisomerase II

Description: DNA topoisomerase 2-beta

Organism : Homo sapiens

Q02880 ENSG00000077097

Cross References

Resources Reference
ChEBI 94700
ChEMBL CHEMBL240163
DrugBank DB11774
DrugCentral 2070
FDA SRS 4CZ1R38NDI
PubChem 65957
SureChEMBL SCHEMBL34460
ZINC ZINC000003779726