Compound Detail
CHEMBL3588909
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Basic Information
| ChEMBL ID | CHEMBL3588909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEROOQILFMDTCS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
2.38
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 3.2
Ki 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 4.81 | 4.81 | 15488.2 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 3.2 | 3.2 | 630957.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor | Ki | = | 15488.17 | nM | 4.81 | Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor ... | 25648685 |
| Alpha-2C adrenergic receptor | EC50 | = | 630957.34 | nM | 3.2 | Agonist activity at recombinant human alpha2c adrenergic receptor expressed in C... | 25648685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25648685 | 10.1016/j.bmc.2015.01.013 | Alpha-2C adrenergic receptor | 4 |
Data from ChEMBL 36 via Core Engine