Compound Detail
CHEMBL356605
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Basic Information
| ChEMBL ID | CHEMBL356605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VARULOWOKPYQRB-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
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
EC50 3 meas. best 8.7
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | IC50 | 7.3 | 7.3 | 50.1 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | EC50 | 7.1 | 7.1 | 79.4 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | EC50 | 6.8 | 6.8 | 158.5 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 6.59 | 6.59 | 257.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | IC50 | 5.89 | 5.89 | 1288.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | EC50 | = | 1.995 | nM | 8.7 | Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 ... | 11814822 |
| Alpha-1A adrenergic receptor | IC50 | = | 50.12 | nM | 7.3 | Binding affinity of compound towards Alpha-1A adrenergic receptor using membrane... | 11814822 |
| Alpha-1B adrenergic receptor | EC50 | = | 79.43 | nM | 7.1 | Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1... | 11814822 |
| Alpha-1D adrenergic receptor | EC50 | = | 158.49 | nM | 6.8 | Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1... | 11814822 |
| Alpha-1D adrenergic receptor | IC50 | = | 257.04 | nM | 6.59 | Binding affinity of compound towards human Alpha-1D adrenergic receptor expresse... | 11814822 |
| Alpha-1B adrenergic receptor | IC50 | = | 1288.25 | nM | 5.89 | 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 |
Data from ChEMBL 36 via Core Engine