Compound Detail
CHEMBL17231
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Basic Information
| ChEMBL ID | CHEMBL17231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFSNGNNMGHLIPH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.37
ALogP
5
HBA
2
HBD
56.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.55
IC50 1 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | EC50 | 10.55 | 10.55 | 0.0 | 1 |
| D(2) dopamine receptor CHEMBL3998 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | EC50 | = | 0.028 | nM | 10.55 | Ability to relax the electrically stimulated rabbit ear artery was determined | 2955118 |
| D(2) dopamine receptor | IC50 | = | 49.0 | nM | 7.31 | Displacement of [3H]spiroperidol from homogenized bovine pituitary Dopamine rece... | 2955118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2955118 | 10.1021/jm00390a009 | Oryctolagus cuniculus | 1 |
| 2955118 | 10.1021/jm00390a009 | D(2) dopamine receptor | 1 |
| 2955118 | 10.1021/jm00390a009 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine