Compound Detail
CHEMBL541862
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Basic Information
| ChEMBL ID | CHEMBL541862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POIHJFVPVYHGMS-UTONKHPSSA-N |
| Parent Compound | CHEMBL190519 |
| Active Moiety | CHEMBL190519 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
2.51
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | Ki | 8.01 | 8.01 | 9.8 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.41 | 6.41 | 390.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.92 | 5.92 | 1190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | Ki | = | 9.8 | nM | 8.01 | Agonist activity was tested in vitro against Dopamine receptor from rat brain me... | 2136919 |
| D(1A) dopamine receptor | Ki | = | 390.0 | nM | 6.41 | Dopamine receptor D1 affinity was tested in vitro against corpus striatum from r... | 2136919 |
| D(2) dopamine receptor | Ki | = | 1190.0 | nM | 5.92 | Dopamine receptor D2 affinity was tested in vitro against corpus striatum from r... | 2136919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2136919 | 10.1021/jm00163a007 | D(1A) dopamine receptor | 1 |
| 2136919 | 10.1021/jm00163a007 | D(2) dopamine receptor | 1 |
| 2136919 | 10.1021/jm00163a007 | Dopamine receptor | 1 |
| 2136919 | 10.1021/jm00163a007 | Dopamine D1 and D2 receptor | 1 |
| 2136919 | 10.1021/jm00163a007 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine