Compound Detail
CHEMBL100784
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL100784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPNOABJRAVXWKU-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
215.2
MW (Da)
1.78
ALogP
4
HBA
2
HBD
71.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.52
IC50 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | EC50 | 7.05 | 6.885 | 90.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | EC50 | = | 3.0 | nM | 8.52 | Inhibition of adp-induced platelet aggregation in human platelet rich plasma. | 1654430 |
| Phosphodiesterase 3 | IC50 | = | 35.0 | nM | 7.46 | Inhibition of hydrolysis of c-AMP phosphodiesterase in human platelets | 1654430 |
| Oryctolagus cuniculus | EC50 | = | 90.0 | nM | 7.05 | Inhibition of platelet aggregation induced by collagen in rabbit platelet rich p... | 1654430 |
| Oryctolagus cuniculus | EC50 | = | 190.0 | nM | 6.72 | Inhibition of platelet aggregation induced by ADP in rabbit platelet rich plasma | 1654430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1654430 | 10.1021/jm00113a033 | Oryctolagus cuniculus | 2 |
| 1654430 | 10.1021/jm00113a033 | Phosphodiesterase 3 | 1 |
| 1654430 | 10.1021/jm00113a033 | Unchecked | 1 |
| 1654430 | 10.1021/jm00113a033 | Homo sapiens | 1 |
| 1654430 | 10.1021/jm00113a033 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine