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Compound Detail

CHEMBL5439475

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O=C1CCC(N2Cc3ccc(S(=O)(=O)n4ccnc4)cc3C2=O)C(=O)N1

Basic Information

ChEMBL ID CHEMBL5439475
Phase Preclinical
Structure Type MOL
InChI Key TXGIWHWNJZVUAC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
-0.12
ALogP
7
HBA
1
HBD
118.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N4O5S
MW 374.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.56

Activity Summary

IC50 1 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon
CHEMBL3763008
IC50 7.38 7.38 41.9 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.567 hr Homo sapiens
T1/2 2.417 hr Homo sapiens
T1/2 3.617 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein cereblon IC50 = 41.9 nM 7.38 Displacement of BODIPY-lenalidomide from human N-terminal NanoLuc-fused CRBN exp... 37974938

Literature References

Data from ChEMBL 36 via Core Engine