Compound Detail
CHEMBL96504
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 | CHEMBL96504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JALBJZIGFXCLKJ-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
4.14
ALogP
3
HBA
0
HBD
17.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 7.89 | 7.47 | 13.0 | 3 |
| 5-hydroxytryptamine receptor 5A CHEMBL3597 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 7.12 | 7.12 | 75.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 5A | Ki | = | 13.0 | nM | 7.89 | Binding affinity for rodent 5-hydroxytryptamine 5A receptor | 12825922 |
| 5-hydroxytryptamine receptor 5A | Ki | = | 13.0 | nM | 7.89 | Binding affinity towards mouse 5-hydroxytryptamine 5A receptor using LSD as radi... | 12930153 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 30.0 | nM | 7.52 | Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3... | 12930153 |
| 5-hydroxytryptamine receptor 5A | Ki | = | 55.0 | nM | 7.26 | Binding affinity towards human 5-hydroxytryptamine 5A receptor | 12825922 |
| 5-hydroxytryptamine receptor 5A | Ki | = | 55.0 | nM | 7.26 | Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radi... | 12930153 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 75.0 | nM | 7.12 | Binding affinity towards rat 5-hydroxytryptamine 2C receptor expressed in A-9 ce... | 12930153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 5A | 2 |
| 12930153 | 10.1021/jm030080s | 5-hydroxytryptamine receptor 5A | 2 |
| 12930153 | 10.1021/jm030080s | 5-hydroxytryptamine receptor 2A | 1 |
| 12930153 | 10.1021/jm030080s | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine