Compound Detail
CHEMBL75887
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Basic Information
| ChEMBL ID | CHEMBL75887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCZDXFJAMRSBKF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
1.92
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.28
Ki 1 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.18 | 7.18 | 66.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 52.0 | nM | 7.28 | The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]... | 1973734 |
| Unchecked | Ki | = | 66.07 | nM | 7.18 | Binding affinity to displace [3H]spiperone from dopamine receptor D2 was determi... | 15808487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1973734 | 10.1021/jm00170a040 | Rattus norvegicus | 2 |
| 1973734 | 10.1021/jm00170a040 | D(2) dopamine receptor | 1 |
| 15808487 | 10.1016/j.bmcl.2005.02.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine