Compound Detail
CHEMBL2171462
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
Basic Information
| ChEMBL ID | CHEMBL2171462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGYAGXZRPJCUGE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
4.87
ALogP
6
HBA
0
HBD
77.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Class 1 phosphodiesterase PDEB1 CHEMBL2010636 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Class 1 phosphodiesterase PDEB1 | IC50 | = | 630.0 | nM | 6.2 | Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect c... | 22963052 |
| Trypanosoma brucei brucei | IC50 | = | 8400.0 | nM | 5.08 | 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