Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL58069

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)CCc1cc(O)c(O)c(O)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL58069
Phase Preclinical
Structure Type MOL
InChI Key YYOVLMOKLNEIBB-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

483.5
MW (Da)
3.09
ALogP
9
HBA
7
HBD
167.6
PSA (Ų)
0.22
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21NO8S
MW 483.50
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.61

Literature References

PubMed DOI Target Context # Activities
9599244 10.1021/jm980007f A549 2
9599244 10.1021/jm980007f CAKI-1 2
9599244 10.1021/jm980007f SK-MEL-2 2
9599244 10.1021/jm980007f DNA topoisomerase II 1
9599244 10.1021/jm980007f DNA topoisomerase 1 1
9599244 10.1021/jm980007f Tubulin 1
9599244 10.1021/jm980007f KB 1
9599244 10.1021/jm980007f MCF7 1

Data from ChEMBL 36 via Core Engine