Compound Detail
CHEMBL544618
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Basic Information
| ChEMBL ID | CHEMBL544618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIMVVGOAOKKAAB-PFEQFJNWSA-N |
| Parent Compound | CHEMBL1193245 |
| Active Moiety | CHEMBL1193245 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.24
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 9.66 | 9.66 | 0.2 | 1 |
| Dopamine receptor CHEMBL2093868 | Ki | 9.64 | 9.64 | 0.2 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.91 | 6.91 | 124.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.22 | nM | 9.66 | Dopamine receptor D2 affinity was tested in vitro against corpus striatum from r... | 2136919 |
| Dopamine receptor | Ki | = | 0.23 | nM | 9.64 | Agonist activity was tested in vitro against Dopamine receptor from rat brain me... | 2136919 |
| D(1A) dopamine receptor | Ki | = | 124.0 | nM | 6.91 | Dopamine receptor D1 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