Compound Detail
CHEMBL60634
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O[C@H](CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL60634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVWWOIDJLSKQLV-WYMJOSIYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
5.93
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 7.66 | 6.705 | 22.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 22.0 | nM | 7.66 | Inhibition of [3H]spiroperidol (0.5 nM) binding to dopamine receptor from rat st... | 3941416 |
| Dopamine receptor | IC50 | = | 1800.0 | nM | 5.75 | 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 | 6 |
| 3941416 | 10.1021/jm00151a002 | Dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine