Compound Detail
CHEMBL110968
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 | CHEMBL110968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTLCYGQKNCSZNO-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
437.6
MW (Da)
3.45
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.94 | 6.94 | 116.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 6.25 | 6.25 | 564.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 5.69 | 5.69 | 2040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 16.0 | nM | 7.8 | Binding affinity against serotonin 5-hydroxytryptamine 1A receptor in rat hippoc... | 8759642 |
| Adrenergic receptor alpha-1 | IC50 | = | 84.0 | nM | 7.08 | Binding affinity against Alpha-1 adrenergic receptor in rat brain membrane using... | 8759642 |
| D(2) dopamine receptor | IC50 | = | 116.0 | nM | 6.94 | Binding affinity against Dopamine receptor D2 in rat striatal membrane using [3H... | 8759642 |
| Adrenergic receptor alpha-2 | IC50 | = | 564.0 | nM | 6.25 | Binding affinity against Alpha-2 adrenergic receptor in rat brain membrane using... | 8759642 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 2040.0 | nM | 5.69 | Binding affinity against 5-hydroxytryptamine 2 receptor in rat brain using [3H]k... | 8759642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8759642 | 10.1021/jm960087s | Unchecked | 3 |
| 8759642 | 10.1021/jm960087s | 5-hydroxytryptamine receptor 1A | 1 |
| 8759642 | 10.1021/jm960087s | Serotonin 2 (5-HT2) receptor | 1 |
| 8759642 | 10.1021/jm960087s | D(2) dopamine receptor | 1 |
| 8759642 | 10.1021/jm960087s | Adrenergic receptor alpha-1 | 1 |
| 8759642 | 10.1021/jm960087s | Adrenergic receptor alpha-2 | 1 |
| 8759642 | 10.1021/jm960087s | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine