Compound Detail
CHEMBL4856962
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Basic Information
| ChEMBL ID | CHEMBL4856962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOSVBDHDFCPMFN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5028200 |
| Active Moiety | CHEMBL5028200 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
200.2
MW (Da)
2.53
ALogP
3
HBA
2
HBD
62.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.48 | 5.48 | 3311.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 3311.31 | nM | 5.48 | Displacement of [3H]2-BFI from imidazoline I2 receptor in post-mortem human brai... | 34118720 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34118720 | 10.1016/j.ejmech.2021.113540 | Unchecked | 3 |
| 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