Compound Detail
CHEMBL111739
CACOSPONGIONOLIDE B Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=C1CCC[C@H]2[C@](C)(CCC3=CCC(C4=CC(=O)OC4O)OC3)[C@H](C)CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL111739 |
| Name | CACOSPONGIONOLIDE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVAZWHZRZNYCOV-ILKJNQADSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
400.6
MW (Da)
5.08
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.4 | 4.795 | 4000.0 | 2 |
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 5.37 | 4.715 | 4300.0 | 2 |
| Phospholipase A2 CHEMBL4807 | IC50 | 4.45 | 4.45 | 35400.0 | 1 |
| Phospholipase A2, membrane associated CHEMBL3686 | IC50 | 4.43 | 4.43 | 36900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of pig pancreatic group1 sPLA2 by liquid scintillation counting | 9677277 |
| Phospholipase A2, membrane associated | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of human synovial group2 sPLA2 by liquid scintillation counting | 9677277 |
| Phospholipase A2 | IC50 | = | 35400.0 | nM | 4.45 | Inhibition of bee venom group3 sPLA2 at 10 uM by liquid scintillation counting | 9677277 |
| Phospholipase A2, membrane associated | IC50 | = | 36900.0 | nM | 4.43 | Inhibition of rat air pouch group2 sPLA2 at 10 uM by liquid scintillation counti... | 9677277 |
| Unchecked | IC50 | = | 64200.0 | nM | 4.19 | Inhibition of pig pancreatic group1 sPLA2 at 10 uM by liquid scintillation count... | 9677277 |
| Phospholipase A2, membrane associated | IC50 | = | 86700.0 | nM | 4.06 | Inhibition of human synovial group2 sPLA2 at 10 uM by liquid scintillation count... | 9677277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9703468 | 10.1021/jm980027h | Phospholipase A2 | 9 |
| 9677277 | 10.1021/np980122t | Phospholipase A2, membrane associated | 4 |
| 9677277 | 10.1021/np980122t | Unchecked | 2 |
| 9677277 | 10.1021/np980122t | Phospholipase A2 | 2 |
| 8594155 | 10.1021/np50125a024 | Artemia salina | 1 |
| 8594155 | 10.1021/np50125a024 | Bacillus subtilis | 1 |
| 8594155 | 10.1021/np50125a024 | Micrococcus luteus | 1 |
| 9677277 | 10.1021/np980122t | Acidic phospholipase A2 2 | 1 |
| 9677277 | 10.1021/np980122t | ADMET | 1 |
Data from ChEMBL 36 via Core Engine