Compound Detail
CHEMBL294633
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 | CHEMBL294633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OETSERFTYLQOCP-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.12
ALogP
4
HBA
1
HBD
48.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.82 | 9.82 | 0.1 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 8.28 | 8.215 | 5.3 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.01 | 8.01 | 9.7 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.15 | nM | 9.82 | Binding affinity was evaluated by determining in vitro displacement of [3H]8-OH-... | 9022796 |
| D(2) dopamine receptor | Ki | = | 5.3 | nM | 8.28 | In vitro displacement of [3H]spiperone from Dopamine receptor D2 binding site in... | 9022796 |
| D(2) dopamine receptor | Ki | = | 7.1 | nM | 8.15 | Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum | 2902226 |
| Adrenergic receptor alpha-1 | Ki | = | 9.7 | nM | 8.01 | Potency to displace [3H]- WB-4101 from alpha-1 adrenergic receptor in rat striat... | 2902226 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 29.0 | nM | 7.54 | Potency to displace [3H]- Spiperone from 5-hydroxytryptamine 2 receptor in rat s... | 2902226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2902226 | 10.1021/jm00118a011 | Rattus norvegicus | 3 |
| 2902226 | 10.1021/jm00118a011 | D(2) dopamine receptor | 1 |
| 2902226 | 10.1021/jm00118a011 | Unchecked | 1 |
| 2902226 | 10.1021/jm00118a011 | Adrenergic receptor alpha-1 | 1 |
| 2902226 | 10.1021/jm00118a011 | Serotonin 2 (5-HT2) receptor | 1 |
| 2902226 | 10.1021/jm00118a011 | Dopamine receptor | 1 |
| 2902226 | 10.1021/jm00118a011 | Mus musculus | 1 |
| 9022796 | 10.1021/jm960496o | 5-hydroxytryptamine receptor 1A | 1 |
| 9022796 | 10.1021/jm960496o | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine