Compound Detail
CHEMBL55812
OLPADRONIC ACID 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL55812 |
| Name | OLPADRONIC ACID |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UGEPSJNLORCRBO-UHFFFAOYSA-N |
3
Targets
10
Activities
2
Assay Types
0
PK Parameters
15
Publications
4
Known Names
Molecular Properties
263.1
MW (Da)
-1.06
ALogP
4
HBA
5
HBD
138.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 9 meas. best 5.27
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.27 | 5.27 | 5370.3 | 2 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.34 | 4.335 | 46000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 5400.0 | nM | 5.27 | In vitro growth inhibition of bloodstream-form Trypanosoma brucei rhodesiense Tr... | 12086478 |
| Trypanosoma brucei rhodesiense | IC50 | = | 5370.32 | nM | 5.27 | Predicted pIC50 against Trypomastigotes Brucei rhodesiense. | 12086478 |
| Trypanosoma brucei | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of Trypanosoma rhodesiense (strain STIB900) was determined using bloo... | 11300872 |
| Unchecked | IC50 | = | 46000.0 | nM | 4.34 | Inhibitory activity, for stimulation of TNF-alpha release in gamma-delta T cells... | 14711309 |
| Unchecked | IC50 | = | 46773.51 | nM | 4.33 | pIC50 value for stimulation of TNF-alpha release in gamma-delta T cells, using i... | 14711309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14711309 | 10.1021/jm0303709 | Unchecked | 4 |
| 12086478 | 10.1021/jm0102809 | Trypanosoma brucei rhodesiense | 2 |
| 12086478 | 10.1021/jm0102809 | KB | 1 |
| 12086478 | 10.1021/jm0102809 | ADMET | 1 |
| 14695831 | 10.1021/jm030084x | Entamoeba histolytica | 1 |
| 14695831 | 10.1021/jm030084x | Plasmodium falciparum | 1 |
| 14695831 | 10.1021/jm030084x | KB | 1 |
| 11300872 | 10.1021/jm0002578 | Trypanosoma brucei | 1 |
| 11300872 | 10.1021/jm0002578 | Trypanosoma cruzi | 1 |
| 11300872 | 10.1021/jm0002578 | Leishmania donovani | 1 |
| 11300872 | 10.1021/jm0002578 | Plasmodium falciparum | 1 |
| 12166945 | 10.1021/jm020819i | Rattus norvegicus | 1 |
| 15357980 | 10.1016/j.bmcl.2004.06.042 | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Entamoeba histolytica | 1 |
Data from ChEMBL 36 via Core Engine