Compound Detail
CHEMBL1169525
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Basic Information
| ChEMBL ID | CHEMBL1169525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBMHZDMOELXKBL-YHDJDMAPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.9
MW (Da)
4.00
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 10.77 | 10.77 | 0.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 8.43 | 8.43 | 3.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.017 | nM | 10.77 | Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue | 8246241 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 3.7 | nM | 8.43 | In vitro binding affinity on 5-hydroxytryptamine 2 receptor is inhibition of bin... | 8246241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8246241 | 10.1021/jm00075a028 | D(2) dopamine receptor | 1 |
| 8246241 | 10.1021/jm00075a028 | Serotonin 2 (5-HT2) receptor | 1 |
| 8246241 | 10.1021/jm00075a028 | Adrenergic receptor alpha-2 | 1 |
| 8246241 | 10.1021/jm00075a028 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine