Compound Detail
CHEMBL192037
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Basic Information
| ChEMBL ID | CHEMBL192037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCXCDTKLXHURCX-AWEZNQCLSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
220.4
MW (Da)
2.92
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Ki 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.52 | 6.335 | 30.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.24 | 6.24 | 575.4 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 4.84 | 4.84 | 14500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 30.0 | nM | 7.52 | Compound was evaluated for binding affinity to Dopamine receptor D2 labeled with... | - |
| D(3) dopamine receptor | Ki | = | 575.44 | nM | 6.24 | Inhibition constant against [3H]-spiperone binding to human Dopamine receptor D3... | 15801839 |
| D(2) dopamine receptor | IC50 | = | 7100.0 | nM | 5.15 | Compound was evaluated for binding affinity to Dopamine receptor D2 labeled with... | - |
| D(1A) dopamine receptor | IC50 | = | 14500.0 | nM | 4.84 | Compound was evaluated for binding affinity to Dopamine receptor D1 labeled with... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80003-7 | D(2) dopamine receptor | 2 |
| - | 10.1016/S0960-894X(00)80003-7 | D(1A) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(00)80003-7 | Mus musculus | 1 |
| 15801839 | 10.1021/jm049269+ | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine