Compound Detail
CHEMBL1635
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Basic Information
| ChEMBL ID | CHEMBL1635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFVHBTOOPNJKLV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
182.1
MW (Da)
-1.24
ALogP
7
HBA
1
HBD
125.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.71 | 5.71 | 1930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | EC50 | = | 1700.0 | nM | 5.77 | Vasodilatory activity at endothelium denuded Wistar rat thoracic aorta assessed ... | 21688846 |
| NON-PROTEIN TARGET | EC50 | = | 1930.0 | nM | 5.71 | Vasorelaxant activity in pig pulmonary artery by organ bath experiment | 19406636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21688846 | 10.1021/jm2004514 | Aorta | 2 |
| 19406636 | 10.1016/j.bmcl.2008.04.057 | NON-PROTEIN TARGET | 1 |
| 21688846 | 10.1021/jm2004514 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine