Compound Detail
CHEMBL292214
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OC(CCN1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL292214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URCYATFOBKERTP-VEEOACQBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
6.60
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 220.0 | nM | 6.66 | Inhibition of [3H]spiroperidol (0.5 nM) binding to dopamine receptor from rat st... | 3941416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3941416 | 10.1021/jm00151a002 | Rattus norvegicus | 3 |
| 3941416 | 10.1021/jm00151a002 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine