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Compound Detail

CHEMBL4093484

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O=C(O)c1cnc2c(SSc3cccc4cc(C(=O)O)cnc34)cccc2c1

Basic Information

ChEMBL ID CHEMBL4093484
Phase Preclinical
Structure Type MOL
InChI Key RCYABFBTLSDRIP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
4.98
ALogP
6
HBA
2
HBD
100.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12N2O4S2
MW 408.46
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.40

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
26S proteasome non-ATPase regulatory subunit 14
CHEMBL2007629
IC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28191850 10.1021/acs.jmedchem.6b01379 26S proteasome non-ATPase regulatory subunit 14 1

Data from ChEMBL 36 via Core Engine