Compound Detail
CHEMBL48681
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Basic Information
| ChEMBL ID | CHEMBL48681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVAHZZBJHMCLKH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.80
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Adenosine receptor A2b CHEMBL2592 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | IC50 | = | 160.0 | nM | 6.8 | Inhibitory activity on NECA-induced cyclic-AMP accumulation in CHO-K1 cells expr... | 11170626 |
| Adenosine receptor A2b | IC50 | = | 1200.0 | nM | 5.92 | Inhibitory activity on N-ethylcarboxamidoadenosine (NECA)-induced glucose produc... | 11170626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11170626 | 10.1021/jm990499b | Adenosine receptor A2b | 2 |
Data from ChEMBL 36 via Core Engine