Compound Detail
CHEMBL5205960
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 | CHEMBL5205960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJWKTAZRLLXZRF-UHFFFAOYSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
3.10
ALogP
5
HBA
0
HBD
41.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.1
EC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| SW-620 CHEMBL612262 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| DLD-1 CHEMBL614285 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| HCT-15 CHEMBL612263 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| SW480 CHEMBL612544 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| ATP-dependent Clp protease proteolytic subunit, mitochondrial CHEMBL4523305 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 80.0 | nM | 7.1 | Antiproliferative activity against human HT-29 cells incubated for 48 hrs by CCK... | 35609303 |
| SW-620 | IC50 | = | 90.0 | nM | 7.05 | Antiproliferative activity against human SW-620 cells incubated for 48 hrs by CC... | 35609303 |
| DLD-1 | IC50 | = | 90.0 | nM | 7.05 | Antiproliferative activity against human DLD-1 cells incubated for 48 hrs by CCK... | 35609303 |
| HCT-116 | IC50 | = | 100.0 | nM | 7.0 | Antiproliferative activity against human HCT-116 cells incubated for 48 hrs by C... | 35609303 |
| HCT-15 | IC50 | = | 120.0 | nM | 6.92 | Antiproliferative activity against human HCT-15 cells incubated for 48 hrs by CC... | 35609303 |
| SW480 | IC50 | = | 120.0 | nM | 6.92 | Antiproliferative activity against human SW480 cells incubated for 48 hrs by CCK... | 35609303 |
| ATP-dependent Clp protease proteolytic subunit, mitochondrial | EC50 | = | 160.0 | nM | 6.8 | Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia ... | 35609303 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35609303 | 10.1021/acs.jmedchem.1c02071 | ATP-dependent Clp protease proteolytic subunit, mitochondrial | 2 |
| 35609303 | 10.1021/acs.jmedchem.1c02071 | HCT-116 | 1 |
| 35609303 | 10.1021/acs.jmedchem.1c02071 | HT-29 | 1 |
| 35609303 | 10.1021/acs.jmedchem.1c02071 | SW-620 | 1 |
| 35609303 | 10.1021/acs.jmedchem.1c02071 | DLD-1 | 1 |
| 35609303 | 10.1021/acs.jmedchem.1c02071 | HCT-15 | 1 |
| 35609303 | 10.1021/acs.jmedchem.1c02071 | SW480 | 1 |
Data from ChEMBL 36 via Core Engine