Compound Detail
CHEMBL116890
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Basic Information
| ChEMBL ID | CHEMBL116890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVIAQILFHHNFFE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
4.97
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.84 | 4.84 | 14300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1200.0 | nM | 5.92 | Inhibitory activity against phosphodiesterase 5 from human platelets | 7658441 |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 12700.0 | nM | 4.9 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 14300.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658441 | 10.1021/jm00018a014 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 35148092 | 10.1021/acs.jmedchem.1c01819 | Unchecked | 1 |
| 35148092 | 10.1021/acs.jmedchem.1c01819 | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | 1 |
| 35148092 | 10.1021/acs.jmedchem.1c01819 | Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | 1 |
| 35148092 | 10.1021/acs.jmedchem.1c01819 | Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma | 1 |
Data from ChEMBL 36 via Core Engine