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Compound Detail

CHEMBL5618477

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

Basic Information

ChEMBL ID CHEMBL5618477
Phase Preclinical
Structure Type MOL
InChI Key UNLJYDQMMAMQCI-UOZFTJLZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

628.7
MW (Da)
4.19
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 C25H18BrCl3N2O6
MW 628.69
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 0.10

Activity Summary

EC50 1 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sal-like protein 4
CHEMBL6067463
EC50 6.39 6.39 410.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sal-like protein 4 EC50 = 410.0 nM 6.39 Induction of C-terminal HiBiT tag knocked in SALL4 degradation in human NCCIT ce... 39291008

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