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Compound Detail

CHEMBL58440

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CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CCc1cc(O)c(O)c(O)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL58440
Phase Preclinical
Structure Type MOL
InChI Key VOGMCBJLCZNBPF-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

525.5
MW (Da)
3.79
ALogP
10
HBA
4
HBD
193.1
PSA (Ų)
0.16
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19N3O9S
MW 525.50
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 0.12

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