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Compound Detail

CHEMBL540425

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Cc1cc2c(C(=O)NCC3CC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC3CC3)c(O)c(O)cc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL540425
Phase Preclinical
Structure Type MOL
InChI Key HAYWYFXSOSDJJW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

572.6
MW (Da)
4.79
ALogP
8
HBA
8
HBD
179.6
PSA (Ų)
0.15
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H32N2O8
MW 572.61
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness 0.28

Literature References

PubMed DOI Target Context # Activities
19555126 10.1021/jm900472s Unchecked 2
19555126 10.1021/jm900472s NON-PROTEIN TARGET 2
19555126 10.1021/jm900472s NCI-H460 1
19555126 10.1021/jm900472s Bcl-2-like protein 1 1

Data from ChEMBL 36 via Core Engine