Compound Detail
CHEMBL1327
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Basic Information
| ChEMBL ID | CHEMBL1327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKVLTPAGJIYSGN-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
257.1
MW (Da)
2.92
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 3.47
IC50 1 meas.
Ki 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 4.82 | 4.82 | 15135.6 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 3.47 | 3.47 | 338844.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor | Ki | = | 15135.61 | nM | 4.82 | Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor ... | 25648685 |
| Alpha-2C adrenergic receptor | EC50 | = | 338844.16 | nM | 3.47 | 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 |
| 7252982 | 10.1021/jm00138a017 | Mus musculus | 3 |
| 25036789 | 10.1016/j.ejmech.2014.06.078 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 25036789 | 10.1016/j.ejmech.2014.06.078 | No relevant target | 1 |
| 31279296 | 10.1016/j.ejmech.2019.06.083 | Candida albicans | 1 |
| 31279296 | 10.1016/j.ejmech.2019.06.083 | Pichia kudriavzevii | 1 |
| 31279296 | 10.1016/j.ejmech.2019.06.083 | Candida parapsilosis | 1 |
| 31279296 | 10.1016/j.ejmech.2019.06.083 | Candida tropicalis | 1 |
Data from ChEMBL 36 via Core Engine