Compound Detail
CHEMBL4591759
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Basic Information
| ChEMBL ID | CHEMBL4591759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALQNEQRTZDZLHJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
4.45
ALogP
2
HBA
2
HBD
80.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Group 10 secretory phospholipase A2 CHEMBL4342 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2, membrane associated | IC50 | = | 110.0 | nM | 6.96 | Inhibition of recombinant sPLA2-2A (unknown origin) using 1-palmitoyl-2-oleoyl-s... | 27774123 |
| Unchecked | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of recombinant sPLA2-5 (unknown origin) using 1-palmitoyl-2-oleoyl-sn... | 27774123 |
| Group 10 secretory phospholipase A2 | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of recombinant sPLA2-10 (unknown origin) using 1-palmitoyl-2-oleoyl-s... | 27774123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27774123 | 10.1021/acsmedchemlett.6b00188 | Group 10 secretory phospholipase A2 | 1 |
| 27774123 | 10.1021/acsmedchemlett.6b00188 | Unchecked | 1 |
| 27774123 | 10.1021/acsmedchemlett.6b00188 | Secretory phospholipase A2 | 1 |
| 27774123 | 10.1021/acsmedchemlett.6b00188 | Phospholipase A2, membrane associated | 1 |
Data from ChEMBL 36 via Core Engine