Compound Detail
CHEMBL5865101
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Cc1cnc2ccc(-c3c(N4CCO[C@@H](C)C4)nc(N)n4nc(Cc5ncccc5F)nc34)cn12
Basic Information
| ChEMBL ID | CHEMBL5865101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGERZKWETDOAOC-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
2.68
ALogP
10
HBA
1
HBD
111.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Adenosine receptor A1 CHEMBL226 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | IC50 | = | 3.2 | nM | 8.49 | Binding Affinities to Different Adenosine Receptors: The compounds at different ... | - |
| Adenosine receptor A1 | IC50 | = | 120.0 | nM | 6.92 | FLIPR and cAMP Inhibition Assay: hADORA1/CHO (hA1 expressing) cells (Genscript) ... | - |
Data from ChEMBL 36 via Core Engine