Compound Detail
CHEMBL91162
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Basic Information
| ChEMBL ID | CHEMBL91162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BATHQYAQIQGDNM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
4.40
ALogP
4
HBA
1
HBD
41.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.25 | 7.25 | 56.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 0.6 | nM | 9.22 | Affinity to displace [3H]spiperone from cloned human Dopamine receptor D4 stably... | 10411491 |
| D(2) dopamine receptor | Ki | = | 56.0 | nM | 7.25 | Affinity to displace [3H]spiperone from cloned human Dopamine receptor D2 stably... | 10411491 |
| D(3) dopamine receptor | Ki | = | 240.0 | nM | 6.62 | Affinity to displace [3H]spiperone from cloned human Dopamine receptor D3 (hD3) ... | 10411491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10411491 | 10.1021/jm991029k | D(2) dopamine receptor | 1 |
| 10411491 | 10.1021/jm991029k | D(3) dopamine receptor | 1 |
| 10411491 | 10.1021/jm991029k | D(4) dopamine receptor | 1 |
| 10411491 | 10.1021/jm991029k | Sodium channel alpha subunits; brain (Types I, II, III) | 1 |
| 10411491 | 10.1021/jm991029k | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine