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

CHEMBL5183545

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
CCOc1ccc(NC(=S)N(CC(O)COc2ccc(CC(N)=O)cc2)C(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5183545
Phase Preclinical
Structure Type MOL
InChI Key YOKMRTLFALKPRH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.6
MW (Da)
2.96
ALogP
5
HBA
3
HBD
97.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31N3O4S
MW 445.59
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 4.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urease
CHEMBL4161
 IC50 4.93 4.93 11730.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urease IC50 = 11730.0 nM 4.93 Inhibition of jack bean urease 35305460

Literature References

PubMed DOI Target Context # Activities
35305460 10.1016/j.ejmech.2022.114273 Urease 1

Data from ChEMBL 36 via Core Engine