Compound Detail
CHEMBL99117
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 | CHEMBL99117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRMRMYMZBBDMSU-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
221.7
MW (Da)
1.61
ALogP
2
HBA
2
HBD
53.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.32
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | EC50 | 4.32 | 4.21 | 48000.0 | 2 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of hydrolysis of c-AMP phosphodiesterase in human platelets | 1654430 |
| Oryctolagus cuniculus | EC50 | = | 48000.0 | nM | 4.32 | Inhibition of platelet aggregation induced by collagen in rabbit platelet rich p... | 1654430 |
| Oryctolagus cuniculus | EC50 | = | 79000.0 | nM | 4.1 | Inhibition of platelet aggregation induced by ADP in rabbit platelet rich plasma | 1654430 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of cGMP hydrolysis by human platelet phosphodiesterase | 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 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 1654430 | 10.1021/jm00113a033 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine