Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Parent
ATC: L01CE04
UNII: 27Z82M2G1N

Structure

InChI Key LNHWXBUNXOXMRL-VWLOTQADSA-N
Smile CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCNC(C)C
InChI
InChI=1S/C25H27N3O4/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3/t25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H27N3O4
Molecular Weight 433.51
AlogP 2.62
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 93.45
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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Small Cell Lung Carcinoma 3 D055752 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 256411-32-2
ChEBI 135702
ChEMBL CHEMBL2111084
DrugBank DB12459
DrugCentral 296
EPA CompTox DTXSID60180332
FDA SRS 27Z82M2G1N
PubChem 6456014
SureChEMBL SCHEMBL18983
ZINC ZINC000003826691