Compound Detail
CHEMBL66061
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Basic Information
| ChEMBL ID | CHEMBL66061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLLMDLAIBCHGCR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.46
ALogP
6
HBA
1
HBD
71.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of platelet cAMP phosphodiesterase | 2846839 |
| Homo sapiens | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of ADP induced platelet aggregation | 2846839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2846839 | 10.1021/jm00119a014 | Phosphodiesterase 3 | 1 |
| 2846839 | 10.1021/jm00119a014 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine