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Compound Detail

CHEMBL5560360

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CC(C)(C)C1=NOC2(CCC(=O)NC2=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5560360
Phase Preclinical
Structure Type MOL
InChI Key UKOIPMCPLZOHPG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
0.98
ALogP
4
HBA
1
HBD
67.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N2O3
MW 224.26
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.15

Activity Summary

Ki 1 meas. best 4.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon
CHEMBL3763008
 Ki 4.11 4.11 77400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein cereblon Ki = 77400.0 nM 4.11 Binding affinity to human CRBN TBD assessed as inhibition constant using BODIPY-... 38552426

Literature References

PubMed DOI Target Context # Activities
38552426 10.1016/j.ejmech.2024.116328 Protein cereblon 1
38552426 10.1016/j.ejmech.2024.116328 No relevant target 1
38552426 10.1016/j.ejmech.2024.116328 MM1.S 1
38552426 10.1016/j.ejmech.2024.116328 KMS-12-PE 1
38552426 10.1016/j.ejmech.2024.116328 MOLP-8 1
38552426 10.1016/j.ejmech.2024.116328 Unchecked 1

Data from ChEMBL 36 via Core Engine