Compound Detail
CHEMBL1204246
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 | CHEMBL1204246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWVCOZITXQHVOE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL301637 |
| Active Moiety | CHEMBL301637 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
1.43
ALogP
5
HBA
0
HBD
56.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.9 | 6.9 | 126.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 16.0 | nM | 7.8 | In vitro binding affinity towards alpha-1 adrenergic receptor using radioligand ... | 11170628 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 126.0 | nM | 6.9 | In vitro binding affinity towards 5-hydroxytryptamine 1A receptor was determined... | 11170628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11170628 | 10.1021/jm000929u | 5-hydroxytryptamine receptor 1A | 1 |
| 11170628 | 10.1021/jm000929u | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine