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

CHEMBL4216958

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
NC(=O)c1c(NC(=O)COCc2cc(-c3cccs3)on2)sc2c1CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4216958
Phase Preclinical
Structure Type MOL
InChI Key NRPUXFKWYPJDFT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
3.60
ALogP
7
HBA
2
HBD
107.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N3O4S2
MW 417.51
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.78

Activity Summary

IC50 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 2
CHEMBL1293227
 IC50 5.48 5.48 3300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ubiquitin carboxyl-terminal hydrolase 2 IC50 = 3300.0 nM 5.48 Inhibition of human USP2a (258 to 605 residues) expressed in Escherichia coli BL... 29529503

Literature References

PubMed DOI Target Context # Activities
29529503 10.1016/j.ejmech.2018.03.009 Ubiquitin carboxyl-terminal hydrolase 2 4
29529503 10.1016/j.ejmech.2018.03.009 Ubiquitin carboxyl-terminal hydrolase 7 1

Data from ChEMBL 36 via Core Engine