(S)-DRF-1042

Ligand id: 8261

Name: (S)-DRF-1042

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 109.19
Molecular weight 408.13
XLogP 2.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
5(S)-(2'-hydroxyethoxy)-20(S)-camptothecin | 5(S)-(2'-hydroxyethoxy)-20(S)-CPT
Database Links
PubChem CID 91623363
Search Google for chemical match using the InChIKey UPAYPYZHFCRCMO-UNMCSNQZSA-N
Search Google for chemicals with the same backbone UPAYPYZHFCRCMO
Search UniChem for chemical match using the InChIKey UPAYPYZHFCRCMO-UNMCSNQZSA-N
Search UniChem for chemicals with the same backbone UPAYPYZHFCRCMO
Comments
S-isomer of DRF-1042 is a derivative of camptothecin, a natural quinoline alkaloid with cytotoxic effects, which acts to inhibit DNA topoisomerase I. This compound only contains the (S) stereoisomer, as described in patent US20110177161 [1]. PubChem CID 23631031 represents the molecule with no specified stereochemistry at the 5 position.
Two camptothecin derivatives are already approved for clinical use: topotecan and irinotecan.