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Compound Detail

CHEMBL5419778

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Cc1ccc(NC(=O)NCc2ccc(C3CCC(=O)NC3=O)cc2)cc1Cl

Basic Information

ChEMBL ID CHEMBL5419778
Phase Preclinical
Structure Type MOL
InChI Key OZXPYGFCMJVQLS-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

385.9
MW (Da)
3.49
ALogP
3
HBA
3
HBD
87.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20ClN3O3
MW 385.85
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.20

Activity Summary

EC50 1 meas. best 7.16
IC50 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Eukaryotic peptide chain release factor GTP-binding subunit ERF3A
CHEMBL4523593
EC50 7.16 7.16 70.0 1
Protein cereblon/DNA damage-binding protein 1
CHEMBL4630734
IC50 6.54 6.54 290.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37991844 10.1021/acs.jmedchem.3c01848 Eukaryotic peptide chain release factor GTP-binding subunit ERF3A 3
37991844 10.1021/acs.jmedchem.3c01848 Zinc finger protein Aiolos 2
37991844 10.1021/acs.jmedchem.3c01848 Protein cereblon/DNA damage-binding protein 1 1

Data from ChEMBL 36 via Core Engine