Compound Detail
CHEMBL2057445
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Basic Information
| ChEMBL ID | CHEMBL2057445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFKSXXFKEYZDQL-SFHVURJKSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.38
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.84
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 7.84 | 6.235 | 14.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 7.97 | nM | 8.1 | Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293... | 22748706 |
| D(1A) dopamine receptor | IC50 | = | 14.29 | nM | 7.84 | Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293... | 22748706 |
| D(1A) dopamine receptor | IC50 | = | 23280.0 | nM | 4.63 | Antagonist activity at dopamine D1 receptor assessed as inhibition of [35S]GTPga... | 22748706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22748706 | 10.1016/j.bmc.2012.05.057 | D(1A) dopamine receptor | 6 |
| 22748706 | 10.1016/j.bmc.2012.05.057 | 5-hydroxytryptamine receptor 2A | 1 |
| 22748706 | 10.1016/j.bmc.2012.05.057 | 5-hydroxytryptamine receptor 1A | 1 |
| 22748706 | 10.1016/j.bmc.2012.05.057 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine