Compound Detail
CHEMBL1907695
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CCCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O.O=C(O)/C(O)=C(\O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1907695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFXXPSCNQHFGTJ-KZHAMYRLSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.62
Ki 1 meas. best 10.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 10.64 | 10.64 | 0.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.023 | nM | 10.64 | Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D... | 1969484 |
| D(2) dopamine receptor | IC50 | = | 2.4 | nM | 8.62 | In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2... | 1969484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1969484 | 10.1021/jm00166a012 | D(2) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine