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Compound Detail

CHEMBL297116

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Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2

Basic Information

ChEMBL ID CHEMBL297116
Phase Preclinical
Structure Type MOL
InChI Key LAGNQECGHYBSCQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
0.03
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N3O3
MW 259.26
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.27

Activity Summary

IC50 1 meas. best 6.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon
CHEMBL3763008
IC50 6.18 6.18 658.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein cereblon IC50 = 658.0 nM 6.18 Displacement of fluorescent tracer from NanoLuc-tagged CRBN (unknown origin) by ... 36970148

Literature References

PubMed DOI Target Context # Activities
10386948 10.1016/s0960-894x(99)00250-4 PBMC 2
36970148 10.1039/d2md00347c Cereblon/Ikaros 2
10386948 10.1016/s0960-894x(99)00250-4 Homo sapiens 1
31125896 10.1016/j.ejmech.2019.05.035 PBMC 1
36970148 10.1039/d2md00347c Protein cereblon 1
36970148 10.1039/d2md00347c Protein cereblon/GSPT1 1

Data from ChEMBL 36 via Core Engine