Compound Detail
CHEMBL201270
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Basic Information
| ChEMBL ID | CHEMBL201270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTASTGHPPLINPW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
433.6
MW (Da)
3.21
ALogP
6
HBA
1
HBD
62.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.37 | 8.345 | 4.2 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.57 | 7.43 | 27.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 4.23 | nM | 8.37 | Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liqui... | 19081257 |
| D(3) dopamine receptor | Ki | = | 4.79 | nM | 8.32 | Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 expresse... | 16392820 |
| D(2) dopamine receptor | Ki | = | 27.2 | nM | 7.57 | Displacement of [3H]spiroperidol from cloned human dopamine receptor D2(long) ex... | 16392820 |
| D(2) dopamine receptor | Ki | = | 51.7 | nM | 7.29 | Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liqu... | 19081257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19081257 | 10.1016/j.bmc.2008.11.044 | No relevant target | 3 |
| 16392820 | 10.1021/jm050734s | D(3) dopamine receptor | 1 |
| 16392820 | 10.1021/jm050734s | D(2) dopamine receptor | 1 |
| 19081257 | 10.1016/j.bmc.2008.11.044 | D(3) dopamine receptor | 1 |
| 19081257 | 10.1016/j.bmc.2008.11.044 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine