Compound Detail
CHEMBL555463
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 | CHEMBL555463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTBKMYIFGJWBPM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1195856 |
| Active Moiety | CHEMBL1195856 |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.44
ALogP
6
HBA
1
HBD
64.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Phosphodiesterase 1 CHEMBL2097166 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 16.0 | nM | 7.8 | Inhibitory activity against phosphodiesterase 5 from human platelets | 7658441 |
| Rattus norvegicus | IC50 | = | 830.0 | nM | 6.08 | In vitro inhibition of Thromboxane B2 production in A-23,187-Induced Rat Whole B... | 7658441 |
| Phosphodiesterase 3 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human platelet Phosphodiesterase 3 | 7658441 |
| Thromboxane-A synthase | IC50 | = | 2500.0 | nM | 5.6 | In vitro inhibition of Thromboxane A2 synthase in human platelet | 7658441 |
| Phosphodiesterase 1 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of bovine aorta Phosphodiesterase 1 | 7658441 |
| Phosphodiesterase 4 | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of rat kidney Phosphodiesterase 4 | 7658441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658441 | 10.1021/jm00018a014 | Rattus norvegicus | 2 |
| 7658441 | 10.1021/jm00018a014 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 7658441 | 10.1021/jm00018a014 | Phosphodiesterase 1 | 1 |
| 7658441 | 10.1021/jm00018a014 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 7658441 | 10.1021/jm00018a014 | Phosphodiesterase 3 | 1 |
| 7658441 | 10.1021/jm00018a014 | Phosphodiesterase 4 | 1 |
| 7658441 | 10.1021/jm00018a014 | Thromboxane-A synthase | 1 |
Data from ChEMBL 36 via Core Engine