Compound Detail
CHEMBL62499
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Basic Information
| ChEMBL ID | CHEMBL62499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKJOQIQHASBGPA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
376.9
MW (Da)
3.19
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 250.0 | nM | 6.6 | Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determ... | 2889830 |
| D(2) dopamine receptor | Ki | = | 480.0 | nM | 6.32 | Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 wa... | 2889830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2889830 | 10.1021/jm00394a028 | Mus musculus | 2 |
| 2889830 | 10.1021/jm00394a028 | D(2) dopamine receptor | 1 |
| 2889830 | 10.1021/jm00394a028 | Adrenergic receptor alpha-1 | 1 |
| 2889830 | 10.1021/jm00394a028 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine