Compound Detail
CHEMBL10963
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 | CHEMBL10963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFWFWFKGVBAJEG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
431.6
MW (Da)
3.56
ALogP
6
HBA
0
HBD
53.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.39 | 5.39 | 4090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 50.0 | nM | 7.3 | Affinity for 5-hydroxytryptamine 1A receptor labeled with [3H]8-OH-DPAT radiolig... | 1672156 |
| D(2) dopamine receptor | IC50 | = | 4090.0 | nM | 5.39 | Compound was measured for affinity at dopamine receptor D2 labeled with [3H]spir... | 1672156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1672156 | 10.1021/jm00107a028 | Mus musculus | 1 |
| 1672156 | 10.1021/jm00107a028 | 5-hydroxytryptamine receptor 1A | 1 |
| 1672156 | 10.1021/jm00107a028 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine