Compound Detail
CHEMBL5900385
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Basic Information
| ChEMBL ID | CHEMBL5900385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLYAUPSKDVMPSS-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.29
ALogP
4
HBA
1
HBD
35.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.04
EC50 1 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | IC50 | 10.04 | 9.075 | 0.1 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 8.9 | 8.9 | 1.2 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.39 | 7.39 | 40.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 0.092 | nM | 10.04 | D2 Receptor Agonism Activity Test: The D2 receptor agonism activity test (The ag... | - |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 1.25 | nM | 8.9 | 5-HT1A Receptor Agonism Activity Test: The 5-HT1A receptor agonism activity test... | - |
| D(2) dopamine receptor | IC50 | = | 7.76 | nM | 8.11 | D2 Receptor Antagonism Activity Test: The D2 receptor antagonism activity test (... | - |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 40.3 | nM | 7.39 | 5-HT2A Receptor Antagonism Activity Test: The 5-HT2A receptor antagonism activit... | - |
Data from ChEMBL 36 via Core Engine