Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5433023

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1nc2cccc(NCc3ccc(CN4CCSCC4)cc3)c2c(=O)n1C1CCC(=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5433023
Phase Preclinical
Structure Type MOL
InChI Key WDBRGJBHAYWSGB-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
2.84
ALogP
8
HBA
2
HBD
96.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N5O3S
MW 491.62
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.18

Activity Summary

EC50 2 meas. best 8.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MM1.S
CHEMBL4296471
 EC50 8.02 8.02 9.6 1
Daudi
CHEMBL614281
 EC50 7.23 7.23 59.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MM1.S EC50 = 9.62 nM 8.02 Antiproliferative activity against human MM1.S cells assessed as reduction in ce... 36577219
Daudi EC50 = 59.11 nM 7.23 Antiproliferative activity against human Daudi cells assessed as reduction in ce... 36577219

Literature References

PubMed DOI Target Context # Activities
36577219 10.1016/j.ejmech.2022.115016 Zinc finger protein Aiolos 2
36577219 10.1016/j.ejmech.2022.115016 DNA-binding protein Ikaros 2
36577219 10.1016/j.ejmech.2022.115016 MM1.S 1
36577219 10.1016/j.ejmech.2022.115016 Daudi 1
36577219 10.1016/j.ejmech.2022.115016 HEK-293T 1
36577219 10.1016/j.ejmech.2022.115016 Unchecked 1

Data from ChEMBL 36 via Core Engine