Compound Detail
CHEMBL95190
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 | CHEMBL95190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCTDVJHSYNCJRN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
4.63
ALogP
3
HBA
2
HBD
83.5
PSA (Ų)
0.28
QED
0
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 CHEMBL3816 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 5.11 | 5.09 | 7800.0 | 2 |
| RAW264.7 CHEMBL612557 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosolic phospholipase A2 | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of human cPLA2 alpha by GLU micelle assay | 17305324 |
| Mus musculus | IC50 | = | 7800.0 | nM | 5.11 | Tested on P388D1 macrophage-like cell line (PGE2 production) for inhibition of t... | 15214789 |
| Mus musculus | IC50 | = | 8600.0 | nM | 5.07 | Tested on P388D1 macrophage-like cell line (AA-derived products) for inhibition ... | 15214789 |
| RAW264.7 | IC50 | = | 10000.0 | nM | 5.0 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of Kdo2... | 19443224 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15214789 | 10.1021/jm030485c | Mus musculus | 2 |
| 15214789 | 10.1021/jm030485c | Rattus norvegicus | 2 |
| 19443224 | 10.1016/j.bmc.2009.03.069 | RAW264.7 | 2 |
| 15214789 | 10.1021/jm030485c | Cytosolic phospholipase A2 | 1 |
| 15214789 | 10.1021/jm030485c | No relevant target | 1 |
| 12086476 | 10.1021/jm025538p | Cytosolic phospholipase A2 | 1 |
| 16640343 | 10.1021/jm050993h | 85/88 kDa calcium-independent phospholipase A2 | 1 |
| 16640343 | 10.1021/jm050993h | Cytosolic phospholipase A2 | 1 |
| 17305324 | 10.1021/jm061131z | Cytosolic phospholipase A2 | 1 |
| 17305324 | 10.1021/jm061131z | Blood | 1 |
| 17672443 | 10.1021/jm0613673 | Unchecked | 1 |
| 22192589 | 10.1016/j.bmcl.2011.11.093 | Unchecked | 1 |
| 27522578 | 10.1016/j.bmc.2016.07.057 | 85/88 kDa calcium-independent phospholipase A2 | 1 |
| 27522578 | 10.1016/j.bmc.2016.07.057 | Cytosolic phospholipase A2 | 1 |
Data from ChEMBL 36 via Core Engine