Compound Detail
CHEMBL93832
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Basic Information
| ChEMBL ID | CHEMBL93832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDJMURIRAHUSPJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
381.9
MW (Da)
5.05
ALogP
4
HBA
1
HBD
41.3
PSA (Ų)
0.69
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 9.34 | 9.34 | 0.5 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 0.46 | nM | 9.34 | Affinity to displace [3H]spiperone from cloned human Dopamine receptor D4 stably... | 10411491 |
| D(2) dopamine receptor | Ki | = | 1300.0 | nM | 5.89 | Affinity to displace [3H]spiperone from cloned human Dopamine receptor D2 stably... | 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 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine