Compound Detail
CHEMBL119237
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Basic Information
| ChEMBL ID | CHEMBL119237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVXXOFYIFVLXJA-DHZHZOJOSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.28
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.22 | 5.72 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of Phosphodiesterase 3 from human platelets at 1E-7-1E-4M or 1.0E-6 t... | 2536438 |
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Inhibition of phosphodiesterase 3 from guinea pig cardiac tissue at 1E-7-1E-4M o... | 2536438 |
| Homo sapiens | IC50 | = | 600.0 | nM | 6.22 | In vitro inhibition of collagen stimulated platelet aggregation in human thrombo... | 2536438 |
| Homo sapiens | IC50 | = | 6000.0 | nM | 5.22 | In vitro inhibition of ADP stimulated platelet aggregation in human thrombocyte ... | 2536438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2536438 | 10.1021/jm00122a011 | Unchecked | 2 |
| 2536438 | 10.1021/jm00122a011 | Homo sapiens | 2 |
| 2536438 | 10.1021/jm00122a011 | Canis familiaris | 1 |
| 2536438 | 10.1021/jm00122a011 | No relevant target | 1 |
| 2536438 | 10.1021/jm00122a011 | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine