Compound Detail
CHEMBL162971
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 | CHEMBL162971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKFYOXXHUIRLJK-KBMXLJTQSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
1.76
ALogP
5
HBA
0
HBD
59.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.18
Kd 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 9.18 | 9.18 | 0.7 | 1 |
| Cavia porcellus CHEMBL369 | Kd | 9.0 | 9.0 | 1.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.14 | 5.14 | 7244.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 0.6607 | nM | 9.18 | Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H... | 1671705 |
| Cavia porcellus | Kd | = | 1.0 | nM | 9.0 | In vitro reversal of inhibitory effect of UK - 14304 on the contractile response... | 1671705 |
| Adrenergic receptor alpha-1 | Ki | = | 7244.36 | nM | 5.14 | Binding affinity to alpha-1 adrenergic receptor determined by measurement of [3H... | 1671705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1671705 | 10.1021/jm00106a036 | Adrenergic receptor alpha-2 | 3 |
| 1671705 | 10.1021/jm00106a036 | Adrenergic receptor alpha-1 | 1 |
| 1671705 | 10.1021/jm00106a036 | Cavia porcellus | 1 |
| 1671705 | 10.1021/jm00106a036 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine