Compound Detail
CHEMBL361225
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Basic Information
| ChEMBL ID | CHEMBL361225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOADQMBSEJVBHG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
163.1
MW (Da)
0.31
ALogP
4
HBA
1
HBD
89.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thoracic aorta CHEMBL2367449 | EC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Molecular identity unknown CHEMBL612546 | EC50 | 4.83 | 4.83 | 14700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thoracic aorta | EC50 | = | 13000.0 | nM | 4.89 | Vasodilatory activity in Wistar rat denuded thoracic aorta assessed as inhibitio... | 22222158 |
| Molecular identity unknown | EC50 | = | 14700.0 | nM | 4.83 | Vasodilatory effect in pig pulmonary artery assessed as inhibition of PGF2-alpha... | 17855086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22222158 | 10.1016/j.bmc.2011.11.065 | Thoracic aorta | 3 |
| 17855086 | 10.1016/j.bmcl.2007.08.046 | Molecular identity unknown | 2 |
| 15341967 | 10.1016/j.bmcl.2004.07.014 | Prostaglandin F2-alpha receptor | 1 |
Data from ChEMBL 36 via Core Engine