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Compound Detail

CHEMBL4793201

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O=C(Nc1ccc(I)cc1C(=O)O)c1ccncc1

Basic Information

ChEMBL ID CHEMBL4793201
Phase Preclinical
Structure Type MOL
InChI Key YTJGTSFFYXFWQW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.1
MW (Da)
2.64
ALogP
3
HBA
2
HBD
79.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9IN2O3
MW 368.13
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
32505086 10.1016/j.ejmech.2020.112440 Unchecked 1

Data from ChEMBL 36 via Core Engine