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Compound Detail

CHEMBL5400126

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O=C1CCC(N2Cc3cccc(OCc4ccc(CN5CCOCC5)cc4)c3C2)C(=O)N1

Basic Information

ChEMBL ID CHEMBL5400126
Phase Preclinical
Structure Type MOL
InChI Key QANUJVJMFPONSK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
2.22
ALogP
6
HBA
1
HBD
71.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N3O4
MW 435.52
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon
CHEMBL3763008
IC50 6.09 6.09 808.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 8.5 mL.min-1.kg-1 Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein cereblon IC50 = 808.0 nM 6.09 Inhibition of N-terminal fused Nano Luc CRBN in HEK293T cells by NanoBRET CRBN e... 38389883

Literature References

PubMed DOI Target Context # Activities
38389883 10.1039/d3md00652b ADMET 3
38389883 10.1039/d3md00652b DNA-binding protein Ikaros 2
38389883 10.1039/d3md00652b Protein cereblon 1

Data from ChEMBL 36 via Core Engine