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Compound Detail

CHEMBL4443801

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O=C(O)CC(c1ccc(Cl)cc1)c1cccc(O)c1

Basic Information

ChEMBL ID CHEMBL4443801
Phase Preclinical
Structure Type MOL
InChI Key KZZWKQBIPPHKAO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.7
MW (Da)
3.65
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13ClO3
MW 276.72
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.03

Literature References

PubMed DOI Target Context # Activities
30973731 10.1021/acs.jmedchem.9b00279 Kelch-like ECH-associated protein 1 1

Data from ChEMBL 36 via Core Engine