Compound Detail
CHEMBL3917889
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Basic Information
| ChEMBL ID | CHEMBL3917889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCITZRYVYKMQQH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
0.51
ALogP
9
HBA
1
HBD
117.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 6.67 | 6.67 | 216.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 19.0 | nM | 7.72 | Competition Binding Assay: The protein concentration of membrane suspension was ... | - |
| Adenosine receptor A1 | Ki | = | 216.0 | nM | 6.67 | Competition Binding Assay: Competition binding experiments have been performed i... | - |
Data from ChEMBL 36 via Core Engine