Compound Detail
CHEMBL2051756
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Basic Information
| ChEMBL ID | CHEMBL2051756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXLZJCYTLAFFMV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL8120 |
| Active Moiety | CHEMBL8120 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
3.12
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.1 | 4.75 | 7900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 7900.0 | nM | 5.1 | In vitro inhibition of [3H]N-0437 binding to Dopamine receptor D2 in rat striata... | 1968512 |
| D(2) dopamine receptor | IC50 | = | 40000.0 | nM | 4.4 | In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat stri... | 1968512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1968512 | 10.1021/jm00165a020 | Rattus norvegicus | 8 |
| 3806591 | 10.1021/jm00384a024 | Rattus norvegicus | 4 |
| 1968512 | 10.1021/jm00165a020 | D(2) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine