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Compound Detail

CHEMBL553116

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Br.CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1ccc(N)cc1)CCc1cc(O)c(O)c(O)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL553116
Phase Preclinical
Structure Type MOL
InChI Key NLOVIJWAIMWIJP-LMOVPXPDSA-N
Parent Compound CHEMBL58503
Active Moiety CHEMBL58503
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
3.55
ALogP
7
HBA
5
HBD
132.9
PSA (Ų)
0.23
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23BrN2O5S
MW 531.43
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.52

Literature References

PubMed DOI Target Context # Activities
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 A549 1
9599244 10.1021/jm980007f MCF7 1

Data from ChEMBL 36 via Core Engine