Compound Detail
CHEMBL180576
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Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3c(c2n1Cc1ccccc1)CCCC3
Basic Information
| ChEMBL ID | CHEMBL180576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTSPHMCLDPRBJE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
559.6
MW (Da)
3.43
ALogP
7
HBA
2
HBD
137.6
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 8.52 | 8.335 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2, membrane associated | IC50 | = | 3.0 | nM | 8.52 | Inhibitory concentration against human nonpancreatic secretory phospholipase A2 | 15689175 |
| Phospholipase A2, membrane associated | IC50 | = | 7.0 | nM | 8.15 | Inhibitory concentration against human nonpancreatic secretory phospholipase A2 | 15689175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15689175 | 10.1021/jm0401309 | Phospholipase A2, membrane associated | 2 |
Data from ChEMBL 36 via Core Engine