Compound Detail
CHEMBL407586
THIELOCIN A1 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
COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)C3=C(C)[C@@](C)(O)C4(O)Oc5c(C)c(OC)c(C(=O)Oc6c(C)c(C)c(C(=O)O)c(OC)c6C)c(C)c5C[C@@]4(C)C3=O)c(C)c2OC)c(C)c(C)c1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL407586 |
| Name | THIELOCIN A1 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEUPNPRGHXXEHM-LVIBINNISA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
997.1
MW (Da)
7.83
ALogP
16
HBA
4
HBD
257.2
PSA (Ų)
0.06
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2, membrane associated CHEMBL3686 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2, membrane associated | IC50 | = | 3300.0 | nM | 5.48 | In vitro inhibition of rat secretory Phospholipase A2 (group II). | 8978846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978846 | 10.1021/jm960437a | Phospholipase A2, membrane associated | 2 |
| 8978846 | 10.1021/jm960437a | Phospholipase A2 | 1 |
Data from ChEMBL 36 via Core Engine