Compound Detail
CHEMBL8100
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Basic Information
| ChEMBL ID | CHEMBL8100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACRITBNCBMTINK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
229.7
MW (Da)
2.25
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.66 | 6.66 | 218.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 218.0 | nM | 6.66 | Binding affinity against 5-hydroxytryptamine 2 receptor of rat frontal cortex us... | 2308135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2308135 | 10.1021/jm00165a023 | Serotonin 2 (5-HT2) receptor | 1 |
| 9748359 | 10.1021/jm980144c | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine