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Compound Detail

CHEMBL61707

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CCCCCC(=O)N[C@H]1CCc2cc(O)c(O)c(O)c2-c2ccc(SC)c(=O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL61707
Phase Preclinical
Structure Type MOL
InChI Key DUAFXJAIKLLICE-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
4.24
ALogP
6
HBA
4
HBD
106.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27NO5S
MW 429.54
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.70

Literature References

PubMed DOI Target Context # Activities
9599244 10.1021/jm980007f DNA topoisomerase II 1
9599244 10.1021/jm980007f DNA topoisomerase 1 1
9599244 10.1021/jm980007f Tubulin 1

Data from ChEMBL 36 via Core Engine