Compound Detail
CHEMBL477692
BOLINAQUINONE Enter ChEMBL ID:
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COC1=CC(=O)C(O)=C(C[C@@]2(C)CC[C@]3(C)C(C)=CCC[C@H]3[C@H]2C)C1=O
Basic Information
| ChEMBL ID | CHEMBL477692 |
| Name | BOLINAQUINONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYUXUMSQSVWNDS-NSAJDELNSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
358.5
MW (Da)
4.67
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2 CHEMBL4807 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Phospholipase A2, major isoenzyme CHEMBL4715 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Neutrophil CHEMBL613710 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.26 | 5.26 | 5450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of bee venom group 3 secretory phospholipase A2 by liquid scintillati... | 11374954 |
| Phospholipase A2, membrane associated | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human synovial recombinant group 2 secretory phospholipase A2 by l... | 11374954 |
| Phospholipase A2, major isoenzyme | IC50 | = | 400.0 | nM | 6.4 | Inhibition of pig pancreatic group 1 secretory phospholipase A2 by liquid scinti... | 11374954 |
| Neutrophil | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of cytochalasin B and fMLP-stimulated human neutrophil degranulation ... | 11374954 |
| RAW264.7 | IC50 | = | 5200.0 | nM | 5.28 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21163556 |
| HeLa | IC50 | = | 5450.0 | nM | 5.26 | Cytotoxicity against human HeLa cells | 19091557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11374954 | 10.1021/np000637w | Neutrophil | 3 |
| 11374954 | 10.1021/np000637w | Phospholipase A2, major isoenzyme | 2 |
| 11374954 | 10.1021/np000637w | Phospholipase A2, membrane associated | 2 |
| 11374954 | 10.1021/np000637w | Phospholipase A2 | 2 |
| 11374954 | 10.1021/np000637w | Acidic phospholipase A2 2 | 1 |
| 11374954 | 10.1021/np000637w | Cytosolic phospholipase A2 | 1 |
| 11374954 | 10.1021/np000637w | ADMET | 1 |
| 19091557 | 10.1016/j.bmcl.2008.11.068 | Human immunodeficiency virus 1 | 1 |
| 19091557 | 10.1016/j.bmcl.2008.11.068 | HeLa | 1 |
| 19414266 | 10.1016/j.bmc.2009.04.025 | HT-22 | 1 |
| 21163556 | 10.1016/j.ejmech.2010.11.028 | RAW264.7 | 1 |
| 24865416 | 10.1016/j.bmcl.2014.04.116 | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine