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Compound Detail

CHEMBL433835

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

Basic Information

ChEMBL ID CHEMBL433835
Phase Preclinical
Structure Type MOL
InChI Key YUEAHHBCAKXOFV-SANMLTNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

690.8
MW (Da)
6.45
ALogP
11
HBA
1
HBD
168.2
PSA (Ų)
0.08
QED
3
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H38N2O10S
MW 690.77
Aromatic Rings 3
Heavy Atoms 49
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
9599244 10.1021/jm980007f A549 2
9599244 10.1021/jm980007f MCF7 2
9599244 10.1021/jm980007f CAKI-1 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 SK-MEL-2 1

Data from ChEMBL 36 via Core Engine