Compound Detail
CHEMBL5219455
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 | CHEMBL5219455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWCMRJIQVAHDCC-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
4.48
ALogP
6
HBA
2
HBD
89.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-acyl-sn-glycerol-3-phosphate acyltransferase beta CHEMBL4772 | IC50 | 8.08 | 8.08 | 8.4 | 1 |
| HEK293 CHEMBL614818 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| MEF CHEMBL614342 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.99 | 6.99 | 102.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 6.75 | 6.75 | 179.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-acyl-sn-glycerol-3-phosphate acyltransferase beta | IC50 | = | 8.4 | nM | 8.08 | Inhibition of LPAAT-beta (unknown origin) expressed in Xenopus laevis oocytes in... | 35981459 |
| HEK293 | IC50 | = | 51.0 | nM | 7.29 | Cytotoxicity against HEK293 cells assessed as cell growth inhibition incubated f... | 35981459 |
| MEF | IC50 | = | 62.0 | nM | 7.21 | Cytotoxicity against mouse MEF cells assessed as cell growth inhibition incubate... | 35981459 |
| Unchecked | IC50 | = | 102.0 | nM | 6.99 | Cytotoxicity against human HCO cell assessed as cell growth inhibition incubated... | 35981459 |
| HeLa | IC50 | = | 140.0 | nM | 6.85 | Cytotoxicity against human HeLa cells assessed as cell growth inhibition incubat... | 35981459 |
| SK-OV-3 | IC50 | = | 179.0 | nM | 6.75 | Cytotoxicity against human SK-OV-3 cells assessed as cell growth inhibition incu... | 35981459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35981459 | 10.1016/j.ejmech.2022.114645 | 1-acyl-sn-glycerol-3-phosphate acyltransferase beta | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | HeLa | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | Unchecked | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | HEK293 | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | MEF | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine