Compound Detail
CHEMBL420683
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 | CHEMBL420683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVHLKYRSFYIRKU-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
2.13
ALogP
4
HBA
1
HBD
46.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.94
EC50 2 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 7.9 | 7.9 | 12.6 | 2 |
| Alpha-1A adrenergic receptor CHEMBL229 | IC50 | 6.94 | 6.94 | 114.8 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 5.95 | 5.95 | 1122.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | IC50 | 5.69 | 5.69 | 2041.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | EC50 | = | 12.59 | nM | 7.9 | Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 ... | 11814822 |
| Alpha-1A adrenergic receptor | EC50 | = | 12.59 | nM | 7.9 | Activation of human alpha-1A adrenergic receptor expressed in rat-1 fibroblasts | 12419381 |
| Alpha-1A adrenergic receptor | IC50 | = | 114.82 | nM | 6.94 | Binding affinity of compound towards Alpha-1A adrenergic receptor using membrane... | 11814822 |
| Alpha-1D adrenergic receptor | IC50 | = | 1122.02 | nM | 5.95 | Binding affinity of compound towards human Alpha-1D adrenergic receptor expresse... | 11814822 |
| Alpha-1B adrenergic receptor | IC50 | = | 2041.74 | nM | 5.69 | Binding affinity of compound towards human Alpha-1B adrenergic receptor expresse... | 11814822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11814822 | 10.1016/s0960-894x(01)00764-8 | Alpha-1A adrenergic receptor | 3 |
| 11814822 | 10.1016/s0960-894x(01)00764-8 | Alpha-1B adrenergic receptor | 3 |
| 11814822 | 10.1016/s0960-894x(01)00764-8 | Alpha-1D adrenergic receptor | 3 |
| 12419381 | 10.1016/s0960-894x(02)00753-9 | Alpha-1A adrenergic receptor | 2 |
| 12419381 | 10.1016/s0960-894x(02)00753-9 | Alpha-1B adrenergic receptor | 1 |
| 12419381 | 10.1016/s0960-894x(02)00753-9 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine