Compound Detail
CHEMBL17872
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Basic Information
| ChEMBL ID | CHEMBL17872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNXHEGXICHZWJT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
328.9
MW (Da)
4.03
ALogP
5
HBA
2
HBD
56.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | EC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | EC50 | = | 50.0 | nM | 7.3 | Ability to relax the electrically stimulated rabbit ear artery was determined | 2955118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2955118 | 10.1021/jm00390a009 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine