Compound Detail
CHEMBL4593579
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Basic Information
| ChEMBL ID | CHEMBL4593579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKQQKMGWCJGUCS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
2.49
ALogP
6
HBA
4
HBD
115.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Sentrin-specific protease 1 CHEMBL1909484 | IC50 | 5.42 | 5.315 | 3790.0 | 2 |
| HL-60 CHEMBL383 | IC50 | 5.24 | 5.24 | 5710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 240.0 | nM | 6.62 | Inhibition of Streptococcus pneumoniae FabK using t-o-NAC as substrate in presen... | 35901638 |
| Sentrin-specific protease 1 | IC50 | = | 3790.0 | nM | 5.42 | Inhibition of full-length recombinant human 6His-tagged SENP1 expressed in Esche... | 27491710 |
| HL-60 | IC50 | = | 5710.0 | nM | 5.24 | Antiproliferative activity against human HL-60 cells assessed as inhibition of c... | 36126897 |
| Sentrin-specific protease 1 | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of recombinant human 6His-tagged SENP1 catalytic domain expressed in ... | 27491710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35901638 | 10.1016/j.bmc.2022.116935 | Unchecked | 4 |
| 27491710 | 10.1016/j.bmcl.2016.07.051 | Sentrin-specific protease 1 | 2 |
| 36126897 | 10.1016/j.bmcl.2022.128992 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine