Compound Detail
CHEMBL56580
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O=C(NCCN1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)C(CO)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL56580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLCYPHLASNMAGQ-LODWVWCYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
4.17
ALogP
4
HBA
2
HBD
55.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 35.0 | nM | 7.46 | 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 | Mus musculus | 2 |
| 3941416 | 10.1021/jm00151a002 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine