Compound Detail
CHEMBL366527
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O=C1NCCN1CCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1
Basic Information
| ChEMBL ID | CHEMBL366527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUHGCSTVQXPTOC-JTHBVZDNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.0
MW (Da)
3.70
ALogP
3
HBA
1
HBD
38.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 2.6 | nM | 8.59 | Binding affinity at serotonin 5-hydroxytryptamine 2 receptor by [3H]ketanserin d... | 8151622 |
| D(2) dopamine receptor | IC50 | = | 360.0 | nM | 6.44 | Binding affinity at dopamine D2 receptor by [3H]spiperone displacement. | 8151622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8151622 | 10.1021/jm00033a013 | Serotonin 2 (5-HT2) receptor | 1 |
| 8151622 | 10.1021/jm00033a013 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine