Compound Detail
CHEMBL5573752
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Basic Information
| ChEMBL ID | CHEMBL5573752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBCKRAHHFOYQCX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
317.2
MW (Da)
3.52
ALogP
4
HBA
2
HBD
76.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| COP9 signalosome complex subunit 5 CHEMBL4105809 | IC50 | 4.38 | 4.38 | 41670.0 | 2 |
| HCT-116 CHEMBL394 | IC50 | 4.25 | 4.25 | 56520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| COP9 signalosome complex subunit 5 | IC50 | = | 41720.0 | nM | 4.38 | Inhibition of N-terminal His6-tagged CSN5 (2 to 257 residues) (unknown origin) t... | 39129245 |
| COP9 signalosome complex subunit 5 | IC50 | = | 41670.0 | nM | 4.38 | Inhibition of N-terminal His6-tagged CSN5 (2 to 257 residues) (unknown origin) t... | 39129245 |
| HCT-116 | IC50 | = | 56520.0 | nM | 4.25 | Antiproliferative activity against human HCT-116 cells assessed as inhibition of... | 39129245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39129245 | 10.1021/acs.jmedchem.4c01514 | COP9 signalosome complex subunit 5 | 3 |
| 39129245 | 10.1021/acs.jmedchem.4c01514 | MDA-MB-231 | 1 |
| 39129245 | 10.1021/acs.jmedchem.4c01514 | HCT-116 | 1 |
| 39129245 | 10.1021/acs.jmedchem.4c01514 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine