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Compound Detail

CHEMBL292398

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CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1ccc(NC(=O)C34CCC(C)(C(=O)O3)C4(C)C)cc1)CCc1cc(O)c(O)c(O)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL292398
Phase Preclinical
Structure Type MOL
InChI Key GOWSIMBXFDRBLN-QLBWPIANSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

630.7
MW (Da)
5.03
ALogP
9
HBA
5
HBD
162.3
PSA (Ų)
0.15
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H34N2O8S
MW 630.72
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness 0.57

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