Compound Detail
CHEMBL186023
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Basic Information
| ChEMBL ID | CHEMBL186023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOFRUVVYUCYMLY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
2.23
ALogP
10
HBA
1
HBD
114.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 7.07 | 7.07 | 85.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.13 | 5.13 | 7400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 87.0 | % | Rattus norvegicus |
| T1/2 | 2.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 85.0 | nM | 7.07 | Inhibition of [3H]ZM-241,385 binding to rat brain adenosine A2a receptor | 15294001 |
| Adenosine receptor A1 | Ki | = | 7400.0 | nM | 5.13 | Inhibition of [3H]DPCPX binding to rat cerebral cortex adenosine A1 receptor | 15294001 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15294001 | 10.1021/jm0498405 | Rattus norvegicus | 4 |
| 15294001 | 10.1021/jm0498405 | Adenosine receptor A2a | 1 |
| 15294001 | 10.1021/jm0498405 | Adenosine receptor A1 | 1 |
| 15294001 | 10.1021/jm0498405 | Mus musculus | 1 |
| 15294001 | 10.1021/jm0498405 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine