Compound Detail
CHEMBL77017
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Basic Information
| ChEMBL ID | CHEMBL77017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBVOTNJROVCMMX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.9
MW (Da)
5.54
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.61
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.25 | 6.25 | 560.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.06 | 6.06 | 870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 110.0 | nM | 6.96 | Ability to displace [3H]spiperone from human dopamine receptor D4 (hD4) receptor... | 9240352 |
| D(2) dopamine receptor | Ki | = | 560.0 | nM | 6.25 | Ability to displace [3H]spiperone from human dopamine receptor D2 stably express... | 9240352 |
| D(3) dopamine receptor | Ki | = | 870.0 | nM | 6.06 | Ability to displace [3H]spiperone from human dopamine receptor D3 (hD3) receptor... | 9240352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9240352 | 10.1021/jm970111h | D(2) dopamine receptor | 1 |
| 9240352 | 10.1021/jm970111h | D(3) dopamine receptor | 1 |
| 9240352 | 10.1021/jm970111h | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine