Compound Detail
CHEMBL4861634
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 | CHEMBL4861634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLACROOOBBIRQG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5028205 |
| Active Moiety | CHEMBL5028205 |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
214.2
MW (Da)
2.83
ALogP
3
HBA
1
HBD
51.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.77 | 5.7433 | 169.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 169.82 | nM | 6.77 | Displacement of [3H]2-BFI from imidazoline I2 receptor high affinity site in pos... | 34118720 |
| Unchecked | Ki | = | 1318.26 | nM | 5.88 | Displacement of [3H]2-BFI from imidazoline I2 receptor in post-mortem human brai... | 34118720 |
| Unchecked | Ki | = | 26302.68 | nM | 4.58 | Displacement of [3H]2-BFI from imidazoline I2 receptor low affinity site in post... | 34118720 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34118720 | 10.1016/j.ejmech.2021.113540 | Unchecked | 6 |
| 34118720 | 10.1016/j.ejmech.2021.113540 | Adrenergic receptor alpha-2 | 1 |
| 34118720 | 10.1016/j.ejmech.2021.113540 | ADMET | 1 |
| 34118720 | 10.1016/j.ejmech.2021.113540 | LN-229 | 1 |
| 34118720 | 10.1016/j.ejmech.2021.113540 | CAPAN-1 | 1 |
| 34118720 | 10.1016/j.ejmech.2021.113540 | HCT-116 | 1 |
| 34118720 | 10.1016/j.ejmech.2021.113540 | NCI-H460 | 1 |
| 34118720 | 10.1016/j.ejmech.2021.113540 | HL-60 | 1 |
| 34118720 | 10.1016/j.ejmech.2021.113540 | K562 | 1 |
| 34118720 | 10.1016/j.ejmech.2021.113540 | Z-138 | 1 |
Data from ChEMBL 36 via Core Engine