Compound Detail
CHEMBL174095
DELERGOTRILE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL174095 |
| Name | DELERGOTRILE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LBMFWYCMCHRLBU-SGIREYDYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
2
Known Names
Molecular Properties
265.4
MW (Da)
3.04
ALogP
2
HBA
1
HBD
42.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.58 | 6.43 | 265.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 265.0 | nM | 6.58 | Dopamine receptor binding affinity by displacing the radioligand [3H]-dopamine f... | 3712381 |
| Unchecked | IC50 | = | 520.0 | nM | 6.28 | Dopamine receptor binding affinity by displacing the radioligand [3H]spiroperido... | 3712381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 567695 | 10.1021/jm00206a007 | Rattus norvegicus | 4 |
| 3712381 | 10.1021/jm00156a007 | Dopamine receptor | 3 |
| 3712381 | 10.1021/jm00156a007 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine