Compound Detail
CHEMBL2171658
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Basic Information
| ChEMBL ID | CHEMBL2171658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVWDFIAUUSDHTN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
5.41
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Class 1 phosphodiesterase PDEB1 CHEMBL2010636 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Class 1 phosphodiesterase PDEB1 | IC50 | = | 790.0 | nM | 6.1 | Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect c... | 22963052 |
| Trypanosoma brucei brucei | IC50 | = | 9600.0 | nM | 5.02 | Antitrypanosomal activity against trypomastigotes of Trypanosoma brucei brucei S... | 22963052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22963052 | 10.1021/jm301059b | MRC5 | 1 |
| 22963052 | 10.1021/jm301059b | Trypanosoma brucei brucei | 1 |
| 22963052 | 10.1021/jm301059b | Class 1 phosphodiesterase PDEB1 | 1 |
Data from ChEMBL 36 via Core Engine