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Compound Detail

CHEMBL4787533

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O=C(O)c1cc(I)ccc1NC(=O)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4787533
Phase Preclinical
Structure Type MOL
InChI Key BCUWEEUWHXQCRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.1
MW (Da)
2.34
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.84
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 C11H10INO3
MW 331.11
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.75

Literature References

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

Data from ChEMBL 36 via Core Engine