Compound Detail
CHEMBL470339
PETROSASPONGIOLIDE M Enter ChEMBL ID:
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CC(=O)O[C@@H]1O[C@@H](C2=CC(=O)OC2O)C[C@@H]2[C@@H]1CC[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)CCC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL470339 |
| Name | PETROSASPONGIOLIDE M |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVWQZLJUVIFAOY-GQLPRRODSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
4.74
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2 CHEMBL4807 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of bee venom secretory PLA2 | 9599251 |
| Phospholipase A2 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of human synovial secretory PLA2 | 9599251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9599251 | 10.1021/np9704922 | Phospholipase A2 | 4 |
| 17407277 | 10.1021/jm0700823 | Phospholipase A2 | 2 |
| 17407277 | 10.1021/jm0700823 | RAW264.7 | 2 |
| 17407277 | 10.1021/jm0700823 | Acidic phospholipase A2 2 | 1 |
| 17407277 | 10.1021/jm0700823 | Phospholipase A2, major isoenzyme | 1 |
| 17407277 | 10.1021/jm0700823 | Unchecked | 1 |
| 9599251 | 10.1021/np9704922 | Acidic phospholipase A2 2 | 1 |
| 9599251 | 10.1021/np9704922 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine