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Compound Detail

CHEMBL5542372

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C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12CCC(C)=C(Cl)C2

Basic Information

ChEMBL ID CHEMBL5542372
Phase Preclinical
Structure Type MOL
InChI Key HZKGRCIKQBHSNA-NFAWXSAZSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

333.7
MW (Da)
4.78
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H22BrClO
MW 333.70
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 2.99

Activity Summary

IC50 3 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lymphoma cell line
CHEMBL614114
IC50 5.8 5.8 1600.0 1
Leukemia cell
CHEMBL614844
IC50 5.77 5.77 1700.0 1
Eukaryotic initiation factor 4A-I
CHEMBL2052028
IC50 4.79 4.79 16400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37669595 10.1016/j.ejmech.2023.115781 Eukaryotic initiation factor 4A-I 1
37669595 10.1016/j.ejmech.2023.115781 Leukemia cell 1
37669595 10.1016/j.ejmech.2023.115781 Lymphoma cell line 1

Data from ChEMBL 36 via Core Engine