Compound Detail
CHEMBL120116
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL120116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEQUTPSVRQTUHR-VUWPPUDQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
251.4
MW (Da)
3.11
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 7.87 | nM | 8.1 | Binding affinity against 5-hydroxytryptamine 2 receptor from rat frontal cortex ... | 7658446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658446 | 10.1021/jm00018a019 | Rattus norvegicus | 6 |
| 7658446 | 10.1021/jm00018a019 | Serotonin 2 (5-HT2) receptor | 1 |
| 7658446 | 10.1021/jm00018a019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine