Compound Detail
CHEMBL2171729
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Basic Information
| ChEMBL ID | CHEMBL2171729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGVXFRUMAXEMKI-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
0.55
ALogP
8
HBA
2
HBD
161.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.05
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | EC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | EC50 | = | 900.0 | nM | 6.05 | Vasodilatory activity in Wistar rat thoracic aorta assessed as relaxation of L-p... | 22565215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22565215 | 10.1016/j.bmcl.2012.03.103 | Unchecked | 2 |
| 22565215 | 10.1016/j.bmcl.2012.03.103 | Aorta | 2 |
| 22565215 | 10.1016/j.bmcl.2012.03.103 | NON-PROTEIN TARGET | 1 |
| 22565215 | 10.1016/j.bmcl.2012.03.103 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine