Compound Detail
CHEMBL71724
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 | CHEMBL71724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAUNACXRZSWWJT-UHFFFAOYSA-N |
13
Targets
13
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
3.52
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 13 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL3361 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 8.62 | 8.62 | 2.4 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 8.17 | 8.17 | 6.7 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 7.12 | 7.12 | 76.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.12 | 7.12 | 76.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.05 | 6.05 | 899.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.89 | 5.89 | 1280.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.84 | 5.84 | 1431.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL2304408 | Ki | 5.14 | 5.14 | 7242.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691438 | 10.1021/jm960084f | D(1A) dopamine receptor | 1 |
| 8691438 | 10.1021/jm960084f | D(2) dopamine receptor | 1 |
| 8691438 | 10.1021/jm960084f | D(3) dopamine receptor | 1 |
| 8691438 | 10.1021/jm960084f | D(4) dopamine receptor | 1 |
| 8691438 | 10.1021/jm960084f | 5-hydroxytryptamine receptor 1A | 1 |
| 8691438 | 10.1021/jm960084f | Serotonin 2 (5-HT2) receptor | 1 |
| 8691438 | 10.1021/jm960084f | Adrenergic receptor alpha-1 | 1 |
| 8691438 | 10.1021/jm960084f | Adrenergic receptor alpha-2 | 1 |
| 9632349 | 10.1021/jm980137o | 5-hydroxytryptamine receptor 1D | 1 |
| 9632349 | 10.1021/jm980137o | 5-hydroxytryptamine receptor 1B | 1 |
| 9632349 | 10.1021/jm980137o | 5-hydroxytryptamine receptor 1A | 1 |
| 9632349 | 10.1021/jm980137o | 5-hydroxytryptamine receptor 2A | 1 |
| 9632349 | 10.1021/jm980137o | D(2) dopamine receptor | 1 |
| 9632349 | 10.1021/jm980137o | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine