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Compound Detail

CHEMBL5424693

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CN1C(=O)CCC(CSc2ccccc2)C1=O

Basic Information

ChEMBL ID CHEMBL5424693
Phase Preclinical
Structure Type MOL
InChI Key DCALUXGQDNMVKL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
2.17
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15NO2S
MW 249.34
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.55

Activity Summary

IC50 1 meas. best 4.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MOLP-8
CHEMBL5308502
IC50 4.07 4.07 85870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MOLP-8 IC50 = 85870.0 nM 4.07 Antiproliferative activity against human MOLP8 cells assessed as inhibition of c... 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