Compound Detail
CHEMBL62974
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Basic Information
| ChEMBL ID | CHEMBL62974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDEVESJTXOFBMY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
6
PK Parameters
3
Publications
0
Known Names
Molecular Properties
477.4
MW (Da)
4.06
ALogP
7
HBA
2
HBD
101.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL3589 | IC50 | 8.74 | 8.11 | 1.8 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 18.6 | % | Rattus norvegicus |
| F | - | % | Canis lupus familiaris |
| T1/2 | 2.1 | hr | Rattus norvegicus |
| T1/2 | - | hr | Rattus norvegicus |
| T1/2 | - | hr | Canis lupus familiaris |
| T1/2 | - | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 1.8 | nM | 8.74 | In vitro concentration required for 50% inhibition against Adenosine Kinase (AK)... | 11514141 |
| Adenosine kinase | IC50 | = | 33.0 | nM | 7.48 | In vitro concentration required for 50% inhibition against Adenosine Kinase (AK)... | 11514141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11514141 | 10.1016/s0960-894x(01)00375-4 | Rattus norvegicus | 5 |
| 11514141 | 10.1016/s0960-894x(01)00375-4 | Canis familiaris | 3 |
| 11514141 | 10.1016/s0960-894x(01)00375-4 | Adenosine kinase | 2 |
Data from ChEMBL 36 via Core Engine