Compound Detail
CHEMBL340558
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Basic Information
| ChEMBL ID | CHEMBL340558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWEZIGFGYORHCZ-UHFFFAOYSA-N |
2
Targets
9
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
3.78
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.86 | 4.805 | 13700.0 | 4 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 4.44 | 4.44 | 36300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13700.0 | nM | 4.86 | Inhibition of platelet aggregation induced by Collagen (10 uM) | 11606139 |
| Unchecked | IC50 | = | 13700.0 | nM | 4.86 | Inhibition of collagen-induced platelet aggregation in human platelet-rich plasm... | 33049608 |
| Unchecked | IC50 | = | 17900.0 | nM | 4.75 | Inhibition of platelet aggregation induced by AA (100 uM) | 11606139 |
| Unchecked | IC50 | = | 17900.0 | nM | 4.75 | Inhibition of arachidonic acid-induced platelet aggregation in human platelet-ri... | 33049608 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 36300.0 | nM | 4.44 | Inhibition of PDE5 from platelets | 11606139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11606139 | 10.1021/jm010001h | Unchecked | 4 |
| 33049608 | 10.1016/j.ejmech.2020.112893 | Unchecked | 4 |
| 11606139 | 10.1021/jm010001h | Soluble guanylate cyclase | 1 |
| 11606139 | 10.1021/jm010001h | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 12408703 | 10.1021/jm020070b | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine