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Compound Detail

CHEMBL4589159

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O=C1CC(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1

Basic Information

ChEMBL ID CHEMBL4589159
Phase Preclinical
Structure Type MOL
InChI Key AGHOOKDMLASOHW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

289.2
MW (Da)
-0.39
ALogP
6
HBA
1
HBD
126.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H7N3O6
MW 289.20
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.80

Activity Summary

Ki 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cereblon isoform 4
CHEMBL3763007
Ki 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cereblon isoform 4 Ki = 11000.0 nM 4.96 Inhibition of MANT-uracil binding to wild-type Magnetospirillum gryphiswaldense ... 31251063

Literature References

PubMed DOI Target Context # Activities
31251063 10.1021/acs.jmedchem.9b00454 Cereblon isoform 4 1
31251063 10.1021/acs.jmedchem.9b00454 Cereblon/Casein kinase I alpha 1
31251063 10.1021/acs.jmedchem.9b00454 Protein cereblon/Aiolos 1

Data from ChEMBL 36 via Core Engine