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Compound Detail

CHEMBL4799784

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O=C(Nc1ccc(I)cc1C(=O)O)c1ccc(Cl)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4799784
Phase Preclinical
Structure Type MOL
InChI Key ZEXCLSNMNATWDQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.6
MW (Da)
3.29
ALogP
3
HBA
2
HBD
79.3
PSA (Ų)
0.61
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 C13H8ClIN2O3
MW 402.58
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.88

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine