Compound Detail
CHEMBL29416
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Basic Information
| ChEMBL ID | CHEMBL29416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLBCVEAIUODUHQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
2.69
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 18000.0 | nM | 4.75 | Ability to inhibit 2-chloroadenosine (15 uM)-elicited accumulations of cyclic AM... | 6090665 |
| Adenosine receptor A1 | IC50 | = | 37000.0 | nM | 4.43 | Antagonism of adenosine A1 receptor assessed from the ability to inhibit binding... | 6090665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6090665 | 10.1021/jm00376a027 | Adenosine receptor A1 | 1 |
| 6090665 | 10.1021/jm00376a027 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine