Compound Detail
CHEMBL189359
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 | CHEMBL189359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWLBZLZIHPDAPA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
5.06
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.07 | 4.07 | 86000.0 | 1 |
| Basic phospholipase A2 1 CHEMBL3967 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 86000.0 | nM | 4.07 | In vitro Inhibitory concentration against phospholipase A2 activity of synovial ... | 15993585 |
| Basic phospholipase A2 1 | IC50 | = | 98000.0 | nM | 4.01 | In vitro inhibitory concentration against phospholipase A2 of Naja melanoleuca v... | 15993585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17376692 | 10.1016/j.bmc.2007.02.051 | Rattus norvegicus | 10 |
| 15993585 | 10.1016/j.bmcl.2005.06.012 | Unchecked | 5 |
| 15993585 | 10.1016/j.bmcl.2005.06.012 | Mus musculus | 4 |
| 15993585 | 10.1016/j.bmcl.2005.06.012 | Basic phospholipase A2 1 | 1 |
| 15993585 | 10.1016/j.bmcl.2005.06.012 | Acidic phospholipase A2 EC-I | 1 |
| 15993585 | 10.1016/j.bmcl.2005.06.012 | Basic phospholipase A2 PLA-A | 1 |
| 17376692 | 10.1016/j.bmc.2007.02.051 | Unchecked | 1 |
| 17376692 | 10.1016/j.bmc.2007.02.051 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine