Compound Detail
CHEMBL5572812
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
Basic Information
| ChEMBL ID | CHEMBL5572812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGRAMFDNGRNTRJ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
327.2
MW (Da)
2.97
ALogP
4
HBA
2
HBD
76.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 4.47 | 4.47 | 34150.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.25 | 4.25 | 55570.0 | 1 |
| COP9 signalosome complex subunit 5 CHEMBL4105809 | IC50 | 4.19 | 4.185 | 64630.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 34150.0 | nM | 4.47 | Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition... | 39129245 |
| HCT-116 | IC50 | = | 55570.0 | nM | 4.25 | Antiproliferative activity against human HCT-116 cells assessed as inhibition of... | 39129245 |
| COP9 signalosome complex subunit 5 | IC50 | = | 64630.0 | nM | 4.19 | Inhibition of N-terminal His6-tagged CSN5 (2 to 257 residues) (unknown origin) t... | 39129245 |
| COP9 signalosome complex subunit 5 | IC50 | = | 65460.0 | nM | 4.18 | Inhibition of N-terminal His6-tagged CSN5 (2 to 257 residues) (unknown origin) t... | 39129245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39129245 | 10.1021/acs.jmedchem.4c01514 | COP9 signalosome complex subunit 5 | 2 |
| 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