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Compound Detail

CHEMBL5427472

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COc1cccc2c1OCC(C(=O)Nc1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)=C2

Basic Information

ChEMBL ID CHEMBL5427472
Phase Preclinical
Structure Type MOL
InChI Key ZFAKJMUJUNDGEI-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

447.4
MW (Da)
1.87
ALogP
6
HBA
2
HBD
114.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N3O6
MW 447.45
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.30

Activity Summary

EC50 4 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cereblon/Casein kinase I alpha
CHEMBL4296102
EC50 9.0 9.0 1.0 1
Protein cereblon-IKZF2
CHEMBL5465554
EC50 8.22 8.22 6.0 1
OCI-Ly3
CHEMBL4523565
EC50 7.85 7.85 14.0 1
A2780
CHEMBL614004
EC50 7.57 7.57 27.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38085607 10.1021/acs.jmedchem.3c01736 Cereblon/Casein kinase I alpha 13
38085607 10.1021/acs.jmedchem.3c01736 Unchecked 12
38085607 10.1021/acs.jmedchem.3c01736 Protein cereblon/GSPT1 12
38085607 10.1021/acs.jmedchem.3c01736 Protein cereblon-IKZF2 7
38085607 10.1021/acs.jmedchem.3c01736 Cereblon/Ikaros 1
38085607 10.1021/acs.jmedchem.3c01736 No relevant target 1
38085607 10.1021/acs.jmedchem.3c01736 A2780 1
38085607 10.1021/acs.jmedchem.3c01736 OCI-Ly3 1

Data from ChEMBL 36 via Core Engine