Compound Detail
CHEMBL61032
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 | CHEMBL61032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFVKNZPFYQDNAE-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
202.3
MW (Da)
1.84
ALogP
3
HBA
1
HBD
28.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.89 | 7.89 | 13.0 | 4 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.11 | 6.11 | 780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]2-(di-N-propylamino)-8-hydroxytetralin from central 5-hydrox... | 7783126 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 13.0 | nM | 7.89 | Binding affinity was evaluated by determining in vitro displacement of [3H]8-OH-... | 9022796 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 13.0 | nM | 7.89 | Displacement of radioligand [3H]2-(di-N-propylamino)-8-hydroxytetralin from 5-hy... | 8410989 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 13.0 | nM | 7.89 | Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-... | 8064803 |
| D(2) dopamine receptor | Ki | = | 780.0 | nM | 6.11 | In vitro displacement of [3H]spiperone from Dopamine receptor D2 binding site in... | 9022796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410989 | 10.1021/jm00071a006 | ADMET | 3 |
| 7783126 | 10.1021/jm00011a014 | 5-hydroxytryptamine receptor 1A | 1 |
| 9022796 | 10.1021/jm960496o | 5-hydroxytryptamine receptor 1A | 1 |
| 9022796 | 10.1021/jm960496o | D(2) dopamine receptor | 1 |
| 8410989 | 10.1021/jm00071a006 | 5-hydroxytryptamine receptor 1A | 1 |
| 8064803 | 10.1021/jm00043a015 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine