Compound Detail
CHEMBL170475
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Basic Information
| ChEMBL ID | CHEMBL170475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRKQRRZHLQYHCB-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
4.07
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 5.22 | 4.82 | 6000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 450.0 | nM | 6.35 | Inhibition of binding of [3H]SCH-23390 to Dopamine receptor D1 in rat striatal m... | 11294383 |
| Adrenergic receptor alpha-2 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of binding of [3H]rauwolscine to Alpha-2 adrenergic receptor in rat c... | 11294383 |
| Adrenergic receptor alpha-2 | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of binding of [3H]rauwolscine to Alpha-2 adrenergic receptor in rat c... | 11294383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11294383 | 10.1016/s0960-894x(01)00076-2 | D(2) dopamine receptor | 2 |
| 11294383 | 10.1016/s0960-894x(01)00076-2 | D(1A) dopamine receptor | 2 |
| 11294383 | 10.1016/s0960-894x(01)00076-2 | Adrenergic receptor alpha-1 | 2 |
| 11294383 | 10.1016/s0960-894x(01)00076-2 | Adrenergic receptor alpha-2 | 2 |
Data from ChEMBL 36 via Core Engine