Compound Detail
CHEMBL89162
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Basic Information
| ChEMBL ID | CHEMBL89162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOERQNNPROAOGM-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
312.6
MW (Da)
5.75
ALogP
2
HBA
1
HBD
29.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Group VII phospholipase A2 CHEMBL3651 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 5.02 | 4.99 | 9500.0 | 2 |
| Cytosolic phospholipase A2 CHEMBL2907 | IC50 | 4.92 | 4.92 | 11900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Group VII phospholipase A2 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of secretory PLA2 activity in porcine pancreas using [3H]-oleate labe... | 10698455 |
| Phospholipase A2, membrane associated | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of secretory PLA2 activity in human recombinant synovial enzyme using... | 10698455 |
| Jurkat | IC50 | = | 7000.0 | nM | 5.16 | Inhibitory concentration required for 50% apoptosis induction was evaluated usin... | 12182874 |
| Phospholipase A2 | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of secretory PLA2 activity in Naja naja venom enzyme using [3H]oleate... | 10698455 |
| Phospholipase A2 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of secretory PLA2 activity in bee venom enzyme using [3H]oleate label... | 10698455 |
| Cytosolic phospholipase A2 | IC50 | = | 11900.0 | nM | 4.92 | Effect on cytosolic Phospholipase A2 (PLA2) activity at a concentration of 100 u... | 10698455 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19703769 | 10.1016/j.bmcl.2009.07.147 | Mycobacterium tuberculosis | 15 |
| 10698455 | 10.1016/s0960-894x(99)00680-0 | Phospholipase A2 | 4 |
| 11844694 | 10.1016/s0960-894x(01)00837-x | Leishmania amazonensis | 4 |
| 11844694 | 10.1016/s0960-894x(01)00837-x | Leishmania braziliensis | 4 |
| 11844694 | 10.1016/s0960-894x(01)00837-x | Leishmania donovani | 4 |
| 10698455 | 10.1016/s0960-894x(99)00680-0 | Cytosolic phospholipase A2 | 2 |
| 10698455 | 10.1016/s0960-894x(99)00680-0 | Group VII phospholipase A2 | 2 |
| 10698455 | 10.1016/s0960-894x(99)00680-0 | Phospholipase A2, membrane associated | 2 |
| 17000108 | 10.1016/j.bmcl.2006.08.113 | Macrophage | 2 |
| 17000108 | 10.1016/j.bmcl.2006.08.113 | ADMET | 2 |
| 17000108 | 10.1016/j.bmcl.2006.08.113 | NON-PROTEIN TARGET | 2 |
| 12182874 | 10.1016/s0960-894x(02)00476-6 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine