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Compound Detail

CHEMBL5619144

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O=C1CCC(N2Cc3cc([C@H]4C[C@@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)ccc3C2=O)C(=O)N1

Basic Information

ChEMBL ID CHEMBL5619144
Phase Preclinical
Structure Type MOL
InChI Key PFPPFUYFOLLWSU-WEYXIGNSSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

614.7
MW (Da)
4.55
ALogP
5
HBA
1
HBD
92.8
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 C25H20BrCl3N2O5
MW 614.71
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 0.39

Activity Summary

EC50 2 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sal-like protein 4
CHEMBL6067463
EC50 6.8 6.8 160.0 1
Casein kinase I isoform alpha
CHEMBL2793
EC50 6.66 6.66 220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine