Compound Detail
CHEMBL331778
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Basic Information
| ChEMBL ID | CHEMBL331778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOPZTSBRFFFRMV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
465.4
MW (Da)
3.22
ALogP
7
HBA
1
HBD
80.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL2384 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| IMR-32 CHEMBL614585 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 28.0 | nM | 7.55 | Evaluated in vitro for inhibitory activity against Adenosine kinase (AK) | 12166937 |
| IMR-32 | IC50 | = | 280.0 | nM | 6.55 | Evaluated in vitro for the inhibition of Adenosine (ADO) phosphorylation in inta... | 12166937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12166937 | 10.1021/jm020049a | Adenosine kinase | 1 |
| 12166937 | 10.1021/jm020049a | IMR-32 | 1 |
Data from ChEMBL 36 via Core Engine