Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: OC71PP0F89

Structure

InChI Key ZVYVPGLRVWUPMP-FYSMJZIKSA-N
Smile CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3
InChI
InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H22FN3O4
Molecular Weight 435.46
AlogP 2.47
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 107.44
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA topoisomerase I inhibitor PubMed PubMed PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135709
ChEMBL CHEMBL1614650
DrugBank DB12185
DrugCentral 1120
EPA CompTox DTXSID60169061
FDA SRS OC71PP0F89
PubChem 151115
SureChEMBL SCHEMBL2512959
ZINC ZINC000003800855