Compound Detail
CHEMBL1164544
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Basic Information
| ChEMBL ID | CHEMBL1164544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSNPOGOZVAHETR-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.85
ALogP
5
HBA
2
HBD
101.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.74
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | EC50 | 5.74 | 5.225 | 1810.0 | 2 |
| No relevant target CHEMBL2362975 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | EC50 | = | 1810.0 | nM | 5.74 | Vasorelaxant activity in Wistar rat endothelium-intact thoracic aortic ring asse... | 20451399 |
| Aorta | EC50 | = | 19490.0 | nM | 4.71 | Vasorelaxant activity in Wistar rat endothelium-denuded thoracic aortic ring ass... | 20451399 |
| No relevant target | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of beta-hematin formation | 25573118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20451399 | 10.1016/j.bmc.2010.04.027 | Rattus norvegicus | 8 |
| 20451399 | 10.1016/j.bmc.2010.04.027 | Aorta | 5 |
| 25573118 | 10.1016/j.bmc.2014.12.020 | Plasmodium falciparum | 1 |
| 25573118 | 10.1016/j.bmc.2014.12.020 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine