Compound Detail
CHEMBL88818
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Basic Information
| ChEMBL ID | CHEMBL88818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SISRFMJKDBQDEO-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
199.2
MW (Da)
1.90
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.4
IC50 2 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Canis familiaris CHEMBL373 | EC50 | 6.4 | 5.845 | 400.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.44 | 4.41 | 36000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Canis familiaris | EC50 | = | 400.0 | nM | 6.4 | In vitro vascular relaxation in canine mesenteric veins precontracted with pheny... | 1654425 |
| Canis familiaris | EC50 | = | 5100.0 | nM | 5.29 | In vitro vascular relaxation in canine coronary arteries precontracted with pros... | 1654425 |
| Unchecked | IC50 | = | 36000.0 | nM | 4.44 | Inhibition of crude cGMP phosphodiesterase from canine thoracic aorta | 1654425 |
| Unchecked | IC50 | = | 42000.0 | nM | 4.38 | Inhibition of crude cAMP phosphodiesterase from canine cardiac aorta | 1654425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1654425 | 10.1021/jm00113a002 | Canis familiaris | 2 |
| 1654425 | 10.1021/jm00113a002 | Unchecked | 2 |
| 1654425 | 10.1021/jm00113a002 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine