Compound Detail
CHEMBL603777
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Basic Information
| ChEMBL ID | CHEMBL603777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMCKFEOYXCGJMU-AARXTDBFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
0.57
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL2304404 | Ki | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 70.0 | nM | 7.16 | Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine ... | 1548682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2999397 | 10.1021/jm00149a016 | Unchecked | 1 |
| 2999397 | 10.1021/jm00149a016 | ADMET | 1 |
| 1548682 | 10.1021/jm00083a018 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine