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Compound Detail

CHEMBL4281427

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CC(O)CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1

Basic Information

ChEMBL ID CHEMBL4281427
Phase Preclinical
Structure Type MOL
InChI Key VHPZHWQAFHIRNX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

562.1
MW (Da)
4.89
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.34
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 C19H16I2O4
MW 562.14
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.46

Activity Summary

IC50 2 meas. best 4.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Eyes absent homolog 3
CHEMBL4296245
IC50 4.79 4.79 16400.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine