Compound Detail
CHEMBL1916036
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Basic Information
| ChEMBL ID | CHEMBL1916036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVHZOVWSYVTAJO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
8
Publications
0
Known Names
Molecular Properties
345.3
MW (Da)
2.52
ALogP
6
HBA
1
HBD
84.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 16.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 9.9 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 61.0 | % | Rattus norvegicus |
| T1/2 | 4.1 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 60.0 | nM | 7.22 | Activation of soluble guanylate cyclase in Sprague-Dawley rat thoracic aorta rin... | 21924901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21924901 | 10.1016/j.bmcl.2011.08.071 | Rattus norvegicus | 4 |
| 21924901 | 10.1016/j.bmcl.2011.08.071 | Soluble guanylate cyclase | 2 |
| 21924901 | 10.1016/j.bmcl.2011.08.071 | Liver microsomes | 2 |
| 21924901 | 10.1016/j.bmcl.2011.08.071 | Unchecked | 1 |
| 21924901 | 10.1016/j.bmcl.2011.08.071 | No relevant target | 1 |
| 21924901 | 10.1016/j.bmcl.2011.08.071 | ADMET | 1 |
| 21924901 | 10.1016/j.bmcl.2011.08.071 | Cytochrome P450 1A2 | 1 |
| 21924901 | 10.1016/j.bmcl.2011.08.071 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine