Compound Detail
CHEMBL269073
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 | CHEMBL269073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCHMVUBCWNSWJE-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
202.3
MW (Da)
1.75
ALogP
3
HBA
1
HBD
26.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.21
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.21 | 8.21 | 6.2 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.03 | 5.63 | 930.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.08 | 5.08 | 8280.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.02 | 5.02 | 9550.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.0 | 5.0 | 9930.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.0 | 5.0 | 9930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 6.2 | nM | 8.21 | Displacement of [3H]2-BFI from imidazoline receptor I-2 | 15013010 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 930.0 | nM | 6.03 | Displacement of [3H]DOB from human 5-hydroxytryptamine 2A receptor | 11755343 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 5830.0 | nM | 5.23 | Displacement of [3H]ketanserin from human 5-hydroxytryptamine 2A receptor | 11755343 |
| Unchecked | IC50 | = | 8280.0 | nM | 5.08 | Displacement of [3H]2-BFI from imidazoline receptor I-2 | 15013010 |
| Adrenergic receptor alpha-2 | Ki | = | 9550.0 | nM | 5.02 | Displacement of [3H]RX-821002 from alpha-2 adrenergic receptor | 15013010 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 9930.0 | nM | 5.0 | Binding affinity for 5-hydroxytryptamine 2A serotonin receptor | 15013010 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 9930.0 | nM | 5.0 | Binding affinity towards human 5-hydroxytryptamine 2C receptor. | 11755343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013010 | 10.1016/j.bmcl.2003.12.033 | Unchecked | 2 |
| 11755343 | 10.1016/s0960-894x(01)00713-2 | 5-hydroxytryptamine receptor 2A | 2 |
| 15013010 | 10.1016/j.bmcl.2003.12.033 | Adrenergic receptor alpha-2 | 1 |
| 15013010 | 10.1016/j.bmcl.2003.12.033 | 5-hydroxytryptamine receptor 2A | 1 |
| 11755343 | 10.1016/s0960-894x(01)00713-2 | 5-hydroxytryptamine receptor 2C | 1 |
| 11755343 | 10.1016/s0960-894x(01)00713-2 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
Data from ChEMBL 36 via Core Engine