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Compound Detail

CHEMBL5412109

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Nc1ccc2ncn(C3CCC(=O)NC3=O)c2c1

Basic Information

ChEMBL ID CHEMBL5412109
Phase Preclinical
Structure Type MOL
InChI Key WGMHCOALNRTCSZ-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

244.2
MW (Da)
0.60
ALogP
5
HBA
2
HBD
90.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N4O2
MW 244.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.34

Activity Summary

EC50 1 meas. best 6.85
IC50 1 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein Aiolos
CHEMBL4739707
EC50 6.85 6.85 142.0 1
Protein cereblon/DNA damage-binding protein 1
CHEMBL4630734
IC50 6.13 6.13 740.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37991844 10.1021/acs.jmedchem.3c01848 Zinc finger protein Aiolos 2
37991844 10.1021/acs.jmedchem.3c01848 Protein cereblon/DNA damage-binding protein 1 1

Data from ChEMBL 36 via Core Engine