Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4S145C552U

Structure

InChI Key YCNIQYLWIPCLNY-QHCPKHFHSA-N
Smile CCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
InChI
InChI=1S/C23H20N2O5/c1-3-19(26)30-23(4-2)16-10-18-20-14(9-13-7-5-6-8-17(13)24-20)11-25(18)21(27)15(16)12-29-22(23)28/h5-10H,3-4,11-12H2,1-2H3/t23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H20N2O5
Molecular Weight 404.42
AlogP 3.04
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 87.49
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL124162
EPA CompTox DTXSID30173074
FDA SRS 4S145C552U
SureChEMBL SCHEMBL1618775
ZINC ZINC000003828515