Compound Detail
CHEMBL2165128
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O=C1CCc2ccc(OC[C@H]3CC[C@H](CN4CCN(c5cccc(Cl)c5Cl)CC4)CC3)cc2N1
Basic Information
| ChEMBL ID | CHEMBL2165128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRARFJICFRVCGK-MXVIHJGJSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.5
MW (Da)
5.89
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.54
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.8
Ki 1 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 6.84 | 6.84 | 145.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 5.8 | 5.8 | 1580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 145.0 | nM | 6.84 | Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO c... | 22845053 |
| D(2) dopamine receptor | EC50 | = | 1580.0 | nM | 5.8 | Partial agonist activity at D2L receptor in human HTLA cells assessed as beta ar... | 22845053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22845053 | 10.1021/jm300603y | D(2) dopamine receptor | 5 |
Data from ChEMBL 36 via Core Engine