Compound Detail
CHEMBL167727
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Basic Information
| ChEMBL ID | CHEMBL167727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQHHSGRZCKGLCY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
2.14
ALogP
3
HBA
0
HBD
56.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Ki 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.75 | 4.75 | 17900.0 | 1 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | Ki | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 17900.0 | nM | 4.75 | Antitrypanosomal activity against trypomastigote stage of Trypanosoma brucei bru... | 29885575 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Ki | = | 94000.0 | nM | 4.03 | Inhibition of human N-terminal His6-tagged PDE10A2 catalytic domain expressed in... | 26908025 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18295489 | 10.1016/j.bmc.2007.11.029 | Rattus norvegicus | 2 |
| 1995902 | 10.1021/jm00106a046 | Salmonella typhimurium | 1 |
| 1995902 | 10.1021/jm00106a046 | No relevant target | 1 |
| 22608675 | 10.1016/j.ejmech.2012.04.029 | Leishmania donovani | 1 |
| 22608675 | 10.1016/j.ejmech.2012.04.029 | J774.A1 | 1 |
| 22608675 | 10.1016/j.ejmech.2012.04.029 | HepG2 | 1 |
| 29885575 | 10.1016/j.ejmech.2018.06.001 | No relevant target | 1 |
| 29885575 | 10.1016/j.ejmech.2018.06.001 | Leishmania infantum | 1 |
| 29885575 | 10.1016/j.ejmech.2018.06.001 | HepG2 | 1 |
| 29885575 | 10.1016/j.ejmech.2018.06.001 | Trypanosoma brucei brucei | 1 |
| 26908025 | 10.1021/acs.jmedchem.5b01813 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
Data from ChEMBL 36 via Core Engine