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Compound Detail

CHEMBL327915

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COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1I

Basic Information

ChEMBL ID CHEMBL327915
Phase Preclinical
Structure Type MOL
InChI Key BBSRTEZVPPPLKF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

383.2
MW (Da)
3.25
ALogP
3
HBA
1
HBD
59.2
PSA (Ų)
0.50
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 C15H14INO3
MW 383.19
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.69

Activity Summary

EC50 2 meas. best 5.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GH3
CHEMBL614571
EC50 5.47 5.47 3400.0 1
Cavia porcellus
CHEMBL369
EC50 5.23 5.23 5900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8151623 10.1021/jm00033a014 No relevant target 1
8151623 10.1021/jm00033a014 ADMET 1
8151623 10.1021/jm00033a014 Cavia porcellus 1
7692047 10.1021/jm00071a004 GH3 1
7692047 10.1021/jm00071a004 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine