Compound Detail
CHEMBL3741079
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 | CHEMBL3741079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTCOOXCCPGHCLB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
504.4
MW (Da)
4.61
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor CHEMBL232 | IC50 | 6.0 | 6.0 | 1003.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | IC50 | 5.47 | 5.47 | 3421.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 5.13 | 5.13 | 7426.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor | IC50 | = | 1003.0 | nM | 6.0 | Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly a... | 26643219 |
| Alpha-1A adrenergic receptor | IC50 | = | 3421.0 | nM | 5.47 | Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly a... | 26643219 |
| Alpha-1D adrenergic receptor | IC50 | = | 7426.0 | nM | 5.13 | Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly a... | 26643219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26643219 | 10.1016/j.bmc.2015.11.020 | Unchecked | 2 |
| 26643219 | 10.1016/j.bmc.2015.11.020 | Alpha-1A adrenergic receptor | 1 |
| 26643219 | 10.1016/j.bmc.2015.11.020 | Alpha-1B adrenergic receptor | 1 |
| 26643219 | 10.1016/j.bmc.2015.11.020 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine