Compound Detail
CHEMBL3677908
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Basic Information
| ChEMBL ID | CHEMBL3677908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZGFKTRVOUYQQN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
427.9
MW (Da)
5.15
ALogP
4
HBA
0
HBD
54.7
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 7.47 | 7.47 | 34.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 34.0 | nM | 7.47 | FRET-Based Binding Assay: Assay protocol: Compounds were evaluated on an in-vitr... | - |
Data from ChEMBL 36 via Core Engine