Compound Detail
CHEMBL131313
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Basic Information
| ChEMBL ID | CHEMBL131313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZUHKFHHJRXFNF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1180562 |
| Active Moiety | CHEMBL1180562 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
390.3
MW (Da)
3.74
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | EC50 | 7.3 | 7.3 | 50.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 6.76 | 6.76 | 174.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | EC50 | = | 50.0 | nM | 7.3 | Dopamine agonist (Dopamine receptor D1) activity was measured as increase in cAM... | 3806602 |
| D(2) dopamine receptor | EC50 | = | 174.0 | nM | 6.76 | Dopamine receptor D2 agonist activity was determined for inhibition of the const... | 3806602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3806602 | 10.1021/jm00384a006 | D(2) dopamine receptor | 1 |
| 3806602 | 10.1021/jm00384a006 | D(1A) dopamine receptor | 1 |
| 3806602 | 10.1021/jm00384a006 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine