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Compound Detail

CHEMBL5421432

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Cc1cnn(S(=O)(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5421432
Phase Preclinical
Structure Type MOL
InChI Key ZVFRHHYHSDAJGY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
0.19
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 C17H16N4O5S
MW 388.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon
CHEMBL3763008
 IC50 5.43 5.43 3752.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 4.817 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein cereblon IC50 = 3752.0 nM 5.43 Displacement of BODIPY-lenalidomide from human N-terminal NanoLuc-fused CRBN exp... 37974938

Literature References

PubMed DOI Target Context # Activities
37974938 10.1021/acsmedchemlett.3c00371 Protein cereblon 1
37974938 10.1021/acsmedchemlett.3c00371 ADMET 1
37974938 10.1021/acsmedchemlett.3c00371 Unchecked 1

Data from ChEMBL 36 via Core Engine