Compound Detail
CHEMBL5218698
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Basic Information
| ChEMBL ID | CHEMBL5218698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLESCEAYXHASOL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.9
MW (Da)
3.27
ALogP
8
HBA
1
HBD
91.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.72
Kd 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenylate cyclase type 10 CHEMBL5169208 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
| Adenylate cyclase type 10 CHEMBL5854 | Kd | 8.48 | 8.48 | 3.3 | 1 |
| Adenylate cyclase type 10 CHEMBL5854 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenylate cyclase type 10 | IC50 | = | 1.9 | nM | 8.72 | Inhibition of rat ADCY10 overexpressed in rat 4-4 cells assessed as IBMX stimula... | 36346696 |
| Adenylate cyclase type 10 | Kd | = | 3.3 | nM | 8.48 | Binding affinity to human recombinant His-tagged ADCY10 assessed as dissociation... | 36346696 |
| Adenylate cyclase type 10 | IC50 | = | 3.9 | nM | 8.41 | Inhibition of human ADCY10 assessed as cAMP accumulation preincubated for 15 min... | 36346696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36346696 | 10.1021/acs.jmedchem.2c01133 | Adenylate cyclase type 10 | 4 |
Data from ChEMBL 36 via Core Engine