Compound Detail
CHEMBL1916024
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Basic Information
| ChEMBL ID | CHEMBL1916024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQYFUZRYBJBAGZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
4
PK Parameters
12
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
2.08
ALogP
9
HBA
2
HBD
121.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.32 | 11.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | Homo sapiens |
| CL | 75.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 25.0 | % | Rattus norvegicus |
| T1/2 | 1.2 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | Activation of soluble guanylate cyclase in Sprague-Dawley rat thoracic aorta rin... | 21924901 |
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Stimulation of soluble guanylate cyclase activity in pre-contracted rabbit aorti... | 23385209 |
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Activation of rabbit sGC assessed as induction of preconstricted aortic ring rel... | 33314936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23385209 | 10.1016/j.bmcl.2013.01.028 | Rattus norvegicus | 4 |
| 21924901 | 10.1016/j.bmcl.2011.08.071 | Soluble guanylate cyclase | 2 |
| - | 10.6019/CHEMBL3301361 | ADMET | 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 | Liver microsomes | 1 |
| 21924901 | 10.1016/j.bmcl.2011.08.071 | Cytochrome P450 1A2 | 1 |
| 23385209 | 10.1016/j.bmcl.2013.01.028 | Hepatocyte | 1 |
| 23385209 | 10.1016/j.bmcl.2013.01.028 | No relevant target | 1 |
| 23385209 | 10.1016/j.bmcl.2013.01.028 | Unchecked | 1 |
| 33314936 | 10.1021/acs.jmedchem.0c01093 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine