Compound Detail
CHEMBL1204384
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 | CHEMBL1204384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFRNBEPKERESDS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL186961 |
| Active Moiety | CHEMBL186961 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
161.2
MW (Da)
1.06
ALogP
3
HBA
2
HBD
36.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.48 | 6.48 | 331.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 331.13 | nM | 6.48 | Displacement of [3H]RX821002 from alpha2 adrenergic receptor in human brain pref... | 18459731 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 201756 | 10.1021/jm00222a020 | Rattus norvegicus | 3 |
| 23664164 | 10.1016/j.bmc.2013.04.011 | Amine oxidase [copper-containing] 3 | 2 |
| 18459731 | 10.1021/jm800026x | Unchecked | 1 |
| 201756 | 10.1021/jm00222a020 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine