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Compound Detail

CHEMBL5430384

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O=C1CCC(n2cnc3ccc(OCc4ccc(CN5CCOCC5)cc4)cc32)C(=O)N1

Basic Information

ChEMBL ID CHEMBL5430384
Phase Preclinical
Structure Type MOL
InChI Key STPAWIJDTOCXOB-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
2.43
ALogP
7
HBA
1
HBD
85.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N4O4
MW 434.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.91

Activity Summary

EC50 1 meas. best 7.16
IC50 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein Aiolos
CHEMBL4739707
EC50 7.16 7.16 70.0 1
Protein cereblon/DNA damage-binding protein 1
CHEMBL4630734
IC50 6.55 6.55 280.0 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 Eukaryotic peptide chain release factor GTP-binding subunit ERF3A 2
37991844 10.1021/acs.jmedchem.3c01848 Protein cereblon/DNA damage-binding protein 1 1

Data from ChEMBL 36 via Core Engine