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Compound Detail

CHEMBL5618377

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O=C1CCC(N2C(=O)c3ccc(C4=C[C@@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)cc3C2=O)C(=O)N1

Basic Information

ChEMBL ID CHEMBL5618377
Phase Preclinical
Structure Type MOL
InChI Key ITKMEHIIJSOLLY-VCUSLETLSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

626.7
MW (Da)
4.10
ALogP
6
HBA
1
HBD
109.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H16BrCl3N2O6
MW 626.67
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.09

Activity Summary

EC50 4 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein Aiolos
CHEMBL4739707
EC50 6.51 6.51 310.0 1
Eukaryotic peptide chain release factor GTP-binding subunit ERF3A
CHEMBL4523593
EC50 5.85 5.85 1400.0 1
Casein kinase I isoform alpha
CHEMBL2793
EC50 5.8 5.8 1600.0 1
Sal-like protein 4
CHEMBL6067463
EC50 5.62 5.62 2400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
39291008 10.1021/acsmedchemlett.4c00297 Eukaryotic peptide chain release factor GTP-binding subunit ERF3A 2
39291008 10.1021/acsmedchemlett.4c00297 Zinc finger protein Aiolos 1
39291008 10.1021/acsmedchemlett.4c00297 Casein kinase I isoform alpha 1
39291008 10.1021/acsmedchemlett.4c00297 Sal-like protein 4 1

Data from ChEMBL 36 via Core Engine