Compound Detail
CHEMBL3735483
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Basic Information
| ChEMBL ID | CHEMBL3735483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFJQKBYZSPXHMO-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
3.07
ALogP
4
HBA
0
HBD
40.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | EC50 | 7.7 | 6.6 | 19.9 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | EC50 | = | 19.95 | nM | 7.7 | Vasodilative activity in isolated Sprague-Dawley rat second-order mesenteric art... | 26546216 |
| Molecular identity unknown | EC50 | = | 125.89 | nM | 6.9 | Vasodilative activity in isolated Sprague-Dawley rat third-order mesenteric arte... | 26546216 |
| Molecular identity unknown | EC50 | = | 199.53 | nM | 6.7 | Vasodilative activity in isolated Sprague-Dawley rat Superior mesenteric arteria... | 26546216 |
| Molecular identity unknown | EC50 | = | 398.11 | nM | 6.4 | Vasodilative activity in isolated Sprague-Dawley rat cerebral basilar arterial r... | 26546216 |
| Molecular identity unknown | EC50 | = | 630.96 | nM | 6.2 | Vasodilative activity in isolated Sprague-Dawley rat renal arterial ring assesse... | 26546216 |
| Molecular identity unknown | EC50 | = | 1995.26 | nM | 5.7 | Vasodilative activity in isolated Sprague-Dawley rat coronary artery assessed as... | 26546216 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26546216 | 10.1016/j.bmcl.2015.10.018 | Rattus norvegicus | 16 |
| 26546216 | 10.1016/j.bmcl.2015.10.018 | Molecular identity unknown | 14 |
Data from ChEMBL 36 via Core Engine