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Compound Detail

CHEMBL4633527

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Cc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(I)cc2)cc1

Basic Information

ChEMBL ID CHEMBL4633527
Phase Preclinical
Structure Type MOL
InChI Key ADFKGOBAIPCERX-FUHWJXTLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.3
MW (Da)
4.17
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19IO2
MW 406.26
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.65

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 20000.0 nM 4.7 Cytotoxicity against Spodoptera frugiperda Sf9 cells assessed as reduction in ce... 32359854

Literature References

PubMed DOI Target Context # Activities
32359854 10.1016/j.bmcl.2020.127191 Unchecked 1

Data from ChEMBL 36 via Core Engine