Compound Detail
CHEMBL541633
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Basic Information
| ChEMBL ID | CHEMBL541633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BICCPBUSCXJJOF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1190825 |
| Active Moiety | CHEMBL1190825 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
2.94
ALogP
4
HBA
3
HBD
52.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.57
Ki 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenylate cyclase CHEMBL2095179 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| Adenylate cyclase CHEMBL2095179 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenylate cyclase | Ki | = | 250.0 | nM | 6.6 | Inhibitory activity against Dopamine sensitive adenylate cyclase in rats | 6106062 |
| Adenylate cyclase | IC50 | = | 2700.0 | nM | 5.57 | Inhibitory concentration against Dopamine sensitive adenylate cyclase in rats | 6106062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6106062 | 10.1021/jm00183a002 | Adenylate cyclase | 2 |
| 6106062 | 10.1021/jm00183a002 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine