Compound Detail
CHEMBL93454
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 | CHEMBL93454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVYCVZRQTPDATA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
3.04
ALogP
6
HBA
0
HBD
46.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 17.0 | nM | 7.77 | Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A rec... | 8064802 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 160.0 | nM | 6.8 | Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 2 rece... | 8064802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064802 | 10.1021/jm00043a014 | Rattus norvegicus | 14 |
| 8064802 | 10.1021/jm00043a014 | Mus musculus | 12 |
| 8064802 | 10.1021/jm00043a014 | 5-hydroxytryptamine receptor 1A | 1 |
| 8064802 | 10.1021/jm00043a014 | Serotonin 2 (5-HT2) receptor | 1 |
| 8064802 | 10.1021/jm00043a014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine