Compound Detail
CHEMBL118944
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Basic Information
| ChEMBL ID | CHEMBL118944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNTPEBIGZTYDQK-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
3.43
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Phosphodiesterase 1 CHEMBL2097166 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL4650 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Cyclooxygenase CHEMBL2094253 | IC50 | 4.29 | 4.29 | 51000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 220.0 | nM | 6.66 | In vitro inhibition of Thromboxane A2 synthase in human platelet | 7658441 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 260.0 | nM | 6.58 | Inhibitory activity against phosphodiesterase 5 from human platelets | 7658441 |
| Rattus norvegicus | IC50 | = | 1100.0 | nM | 5.96 | In vitro inhibition of Thromboxane B2 production in A-23,187-Induced Rat Whole B... | 7658441 |
| Phosphodiesterase 4 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of rat kidney Phosphodiesterase 4 | 7658441 |
| Phosphodiesterase 1 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of bovine aorta Phosphodiesterase 1 | 7658441 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of rat brain Phosphodiesterase 2 | 7658441 |
| Phosphodiesterase 3 | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of human platelet Phosphodiesterase 3 | 7658441 |
| Cyclooxygenase | IC50 | = | 51000.0 | nM | 4.29 | Inhibitory activity against Prostaglandin G/H synthase | 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 |
| 7658441 | 10.1021/jm00018a014 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine