Compound Detail
CHEMBL186940
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Basic Information
| ChEMBL ID | CHEMBL186940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYMMDDHJIJSMCJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
4.45
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
| Basic phospholipase A2 1 CHEMBL3967 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
| Basic phospholipase A2 PLA-A CHEMBL5022 | IC50 | 4.16 | 4.16 | 69000.0 | 1 |
| Acidic phospholipase A2 EC-I CHEMBL4195 | IC50 | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 46000.0 | nM | 4.34 | In vitro Inhibitory concentration against phospholipase A2 activity of synovial ... | 15993585 |
| Basic phospholipase A2 1 | IC50 | = | 60000.0 | nM | 4.22 | In vitro inhibitory concentration against phospholipase A2 of Naja melanoleuca v... | 15993585 |
| Basic phospholipase A2 PLA-A | IC50 | = | 69000.0 | nM | 4.16 | In vitro inhibitory concentration against phospholipase A2 of Trimeresurus flavo... | 15993585 |
| Acidic phospholipase A2 EC-I | IC50 | = | 94000.0 | nM | 4.03 | In vitro inhibitory concentration against phospholipase A2 of Echis carinatus ve... | 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