Compound Detail
CHEMBL1922286
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Basic Information
| ChEMBL ID | CHEMBL1922286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIRPRZCXATUZAJ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.3
MW (Da)
5.23
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.61
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.95
EC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.0 | 5.0 | 10100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.95 | 4.925 | 11200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 10100.0 | nM | 5.0 | Antitrypanosomal activity against blood stream Trypanosoma brucei brucei 427 aft... | 22023548 |
| Unchecked | IC50 | = | 11200.0 | nM | 4.95 | Inhibition of His-tagged catalytic domain Trypanosoma brucei brucei PDEB2 expres... | 22023548 |
| Unchecked | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of His-tagged catalytic domain Trypanosoma brucei brucei PDEB1 expres... | 22023548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22023548 | 10.1021/jm201148s | Unchecked | 2 |
| 22023548 | 10.1021/jm201148s | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine