Compound Detail
CHEMBL4116744
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Basic Information
| ChEMBL ID | CHEMBL4116744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFGLHQSIGAVKRU-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
4.02
ALogP
6
HBA
0
HBD
41.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.46
EC50 1 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 7.76 | 7.76 | 17.2 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.59 | 7.59 | 25.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 3.51 | nM | 8.46 | D2 Receptor Antagonism Activity Test: The D2 receptor antagonism activity test (... | - |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 17.2 | nM | 7.76 | 5-HT1A Receptor Agonism Activity Test: The 5-HT1A receptor agonism activity test... | - |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 25.4 | nM | 7.59 | 5-HT2A Receptor Antagonism Activity Test: The 5-HT2A receptor antagonism activit... | - |
Data from ChEMBL 36 via Core Engine