Compound Detail
CHEMBL3892351
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 | CHEMBL3892351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHKRDPVIPVAAGO-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
2.05
ALogP
3
HBA
2
HBD
36.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.08
EC50 2 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nischarin CHEMBL5221 | Ki | 8.08 | 8.08 | 8.3 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.29 | 7.29 | 51.3 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 6.94 | 6.94 | 114.8 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.75 | 6.75 | 177.8 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 5.34 | 5.34 | 4570.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nischarin | Ki | = | 8.318 | nM | 8.08 | Displacement of [125I]-p-iodoclonidine from I1 receptor imidazoline binding site... | 27774136 |
| Unchecked | Ki | = | 51.29 | nM | 7.29 | Displacement of [3H]-2-BFI from I2 receptor imidazoline binding site in Sprague-... | 27774136 |
| Alpha-2C adrenergic receptor | EC50 | = | 114.82 | nM | 6.94 | Agonist activity at human alpha2c-AR expressed in CHO cells assessed as rate of ... | 27774136 |
| Adrenergic receptor alpha-2 | Ki | = | 177.83 | nM | 6.75 | Displacement of [3H]-RX 821002 from alpha2-AR in Sprague-Dawley rat brain membra... | 27774136 |
| Alpha-2B adrenergic receptor | EC50 | = | 4570.88 | nM | 5.34 | Agonist activity at human alpha2b-AR expressed in CHO cells assessed as rate of ... | 27774136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27774136 | 10.1021/acsmedchemlett.6b00290 | Alpha-2B adrenergic receptor | 2 |
| 27774136 | 10.1021/acsmedchemlett.6b00290 | Alpha-2C adrenergic receptor | 2 |
| 27774136 | 10.1021/acsmedchemlett.6b00290 | Nischarin | 1 |
| 27774136 | 10.1021/acsmedchemlett.6b00290 | Unchecked | 1 |
| 27774136 | 10.1021/acsmedchemlett.6b00290 | Adrenergic receptor alpha-2 | 1 |
| 27774136 | 10.1021/acsmedchemlett.6b00290 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine