Compound Detail
CHEMBL85954
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Basic Information
| ChEMBL ID | CHEMBL85954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKKSHJJLWQJEOP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.49
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 7.16 | 7.16 | 70.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 70.0 | nM | 7.16 | Tested for binding affinity against 5-hydroxytryptamine 2 receptor from rat fron... | 8355253 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 4000.0 | nM | 5.4 | Tested for binding affinity against 5-hydroxytryptamine 1A receptor from rat fro... | 8355253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8355253 | 10.1021/jm00069a010 | Serotonin 2 (5-HT2) receptor | 2 |
| 8355253 | 10.1021/jm00069a010 | 5-hydroxytryptamine receptor 1A | 1 |
| 8355253 | 10.1021/jm00069a010 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine