Compound Detail
CHEMBL160672
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Basic Information
| ChEMBL ID | CHEMBL160672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQHGACGPMGUHSJ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
4.48
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.06 | 6.6067 | 88.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 88.0 | nM | 7.06 | In vitro agonist binding affinity was determined by displacing the [3H]N-propyln... | - |
| D(2) dopamine receptor | IC50 | = | 412.0 | nM | 6.38 | Displacement of [3H]spiperone from rat striatal Dopamine receptor D2 | - |
| D(2) dopamine receptor | IC50 | = | 412.0 | nM | 6.38 | Displacement of [3H]spiperone from rat striatal Dopamine receptor D2 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81245-2 | Rattus norvegicus | 6 |
| - | 10.1016/S0960-894X(01)81245-2 | D(2) dopamine receptor | 3 |
| - | 10.1016/S0960-894X(01)81245-2 | D(1A) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(01)81245-2 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine