Compound Detail
CHEMBL312487
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Basic Information
| ChEMBL ID | CHEMBL312487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXIJYWUWLNHKNW-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
2.46
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.47
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 6.47 | 6.47 | 335.0 | 1 |
| Soluble guanylate cyclase CHEMBL2111348 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Saccharomyces cerevisiae CHEMBL361 | EC50 | 4.98 | 4.98 | 10400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 335.0 | nM | 6.47 | Inhibitory activity on acetylcholine-induced vasorelaxation of phenylephrine-pre... | 10498190 |
| Soluble guanylate cyclase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of soluble guanylate cyclase (unknown origin) | 27663546 |
| Saccharomyces cerevisiae | EC50 | = | 10400.0 | nM | 4.98 | Inhibition of 50 nM rapamycin-mediated cytostatic effect in yeast BY4742 after 4... | 17486044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16415861 | 10.1038/nchembio762 | Saccharomyces cerevisiae | 18 |
| 17486044 | 10.1038/nchembio883 | Unchecked | 3 |
| 10498190 | 10.1016/s0960-894x(99)00411-4 | Rattus norvegicus | 2 |
| 17486044 | 10.1038/nchembio883 | Saccharomyces cerevisiae | 2 |
| 16415861 | 10.1038/nchembio762 | Translation factor GUF1, mitochondrial | 1 |
| 27663546 | 10.1016/j.bmc.2016.09.028 | Soluble guanylate cyclase | 1 |
Data from ChEMBL 36 via Core Engine