Compound Detail
CHEMBL267399
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Basic Information
| ChEMBL ID | CHEMBL267399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZIBPGKMDWYQNO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
211.3
MW (Da)
1.79
ALogP
2
HBA
1
HBD
31.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.14 | 6.57 | 7.3 | 2 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 7.3 | nM | 8.14 | Binding affinity for rat imidazoline I2 receptor from crude P2 membranes | 14698196 |
| Adrenergic receptor alpha-2 | Ki | = | 1600.0 | nM | 5.8 | Displacement of [3H]RX-821002 from alpha-2 adrenergic receptor | 15013010 |
| Unchecked | Ki | = | 9910.0 | nM | 5.0 | Displacement of [3H]2-BFI from imidazoline receptor I-2 | 15013010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013010 | 10.1016/j.bmcl.2003.12.033 | Unchecked | 1 |
| 15013010 | 10.1016/j.bmcl.2003.12.033 | Adrenergic receptor alpha-2 | 1 |
| 14698196 | 10.1016/j.bmcl.2003.09.092 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine