Compound Detail
CHEMBL114131
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 | CHEMBL114131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEPIVRHFKXOYNY-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
1.85
ALogP
8
HBA
2
HBD
97.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 8.15 | 8.15 | 7.2 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.85 | 7.85 | 14.2 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 7.7 | 7.7 | 19.8 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.31 | 6.31 | 491.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | IC50 | = | 7.15 | nM | 8.15 | Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tiss... | 1683407 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 14.2 | nM | 7.85 | Binding affinity against 5-hydroxytryptamine 1A receptor using in rat hippocampa... | 1683407 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 19.8 | nM | 7.7 | Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cort... | 1683407 |
| D(2) dopamine receptor | IC50 | = | 491.0 | nM | 6.31 | Binding affinity against dopamine receptor D2 in rat corpus striatal tissue usin... | 1683407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1683407 | 10.1021/jm00115a024 | D(2) dopamine receptor | 1 |
| 1683407 | 10.1021/jm00115a024 | 5-hydroxytryptamine receptor 1A | 1 |
| 1683407 | 10.1021/jm00115a024 | 5-hydroxytryptamine receptor 2A | 1 |
| 1683407 | 10.1021/jm00115a024 | Adrenergic receptor alpha-1 | 1 |
| 1683407 | 10.1021/jm00115a024 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine