Compound Detail
CHEMBL524439
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Basic Information
| ChEMBL ID | CHEMBL524439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRPJZDTZANKXQI-LBPRGKRZSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
361.8
MW (Da)
3.52
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.09
Ki 2 meas. best 8.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 8.65 | 8.65 | 2.2 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 6.57 | 6.57 | 269.1 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 2.239 | nM | 8.65 | Displacement of [3H]prazosin from adrenergic alpha1A receptor in rat brain membr... | 10785418 |
| D(1A) dopamine receptor | IC50 | = | 81.0 | nM | 7.09 | Displacement of [3H]SCH23390 from dopamine D1 receptor in Wistar rat striatal me... | 10785418 |
| Alpha-1B adrenergic receptor | Ki | = | 269.15 | nM | 6.57 | Displacement of [3H]prazosin from adrenergic Alpha-1B receptor in rat brain memb... | 10785418 |
| D(2) dopamine receptor | IC50 | = | 720.0 | nM | 6.14 | Displacement of [3H]raclopride from dopamine D2 receptor in Wistar rat striatal ... | 10785418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10785418 | 10.1021/np990433j | Unchecked | 2 |
| 10785418 | 10.1021/np990433j | D(1A) dopamine receptor | 1 |
| 10785418 | 10.1021/np990433j | D(2) dopamine receptor | 1 |
| 10785418 | 10.1021/np990433j | Alpha-1A adrenergic receptor | 1 |
| 10785418 | 10.1021/np990433j | Alpha-1B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine