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Compound Detail

CHEMBL4797728

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CC(C)(C)OC(=O)Nc1ccc(I)cc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4797728
Phase Preclinical
Structure Type MOL
InChI Key NZVOASTYHQSAJJ-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

363.1
MW (Da)
3.34
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.79
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 C12H14INO4
MW 363.15
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.31

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
32505086 10.1016/j.ejmech.2020.112440 Unchecked 3
32505086 10.1016/j.ejmech.2020.112440 Mycobacterium tuberculosis 1
37423127 10.1016/j.ejmech.2023.115569 Enoyl-[acyl-carrier-protein] reductase [NADH] 1
37423127 10.1016/j.ejmech.2023.115569 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine