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Compound Detail

CHEMBL5420053

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Cn1cnnc1SCC1CCC(=O)NC1=O

Basic Information

ChEMBL ID CHEMBL5420053
Phase Preclinical
Structure Type MOL
InChI Key CZCOBCAEKIBJOY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
-0.04
ALogP
6
HBA
1
HBD
76.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H12N4O2S
MW 240.29
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.58

Activity Summary

Ki 1 meas. best 4.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon
CHEMBL3763008
Ki 4.68 4.68 21000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein cereblon Ki = 21000.0 nM 4.68 Binding affinity to human CRBN thalidomide binding domain assessed as inhibition... 36476642

Literature References

PubMed DOI Target Context # Activities
36476642 10.1016/j.ejmech.2022.114990 Protein cereblon 1
36476642 10.1016/j.ejmech.2022.114990 MOLP-8 1
36476642 10.1016/j.ejmech.2022.114990 KMS-12-PE 1

Data from ChEMBL 36 via Core Engine