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Compound Detail

CHEMBL4791943

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CN(C(=O)OC(C)(C)C)c1ccc(I)cc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4791943
Phase Preclinical
Structure Type MOL
InChI Key LFYSGXVYMSPASD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.2
MW (Da)
3.36
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16INO4
MW 377.18
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.28

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
32505086 10.1016/j.ejmech.2020.112440 Unchecked 2

Data from ChEMBL 36 via Core Engine