Compound Detail
CHEMBL1196161
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Basic Information
| ChEMBL ID | CHEMBL1196161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLNOXCRCYMOMLA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
343.9
MW (Da)
4.24
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 9.92 | 9.28 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | EC50 | = | 0.12 | nM | 9.92 | Agonist activity at human dopamine D1 receptor expressed in CHOK1 cells assessed... | 29939744 |
| D(1A) dopamine receptor | EC50 | = | 2.3 | nM | 8.64 | Agonist activity at human dopamine D1 receptor expressed in CHOK1 cells assessed... | 29939744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29939744 | 10.1021/acs.jmedchem.8b00435 | D(1A) dopamine receptor | 4 |
Data from ChEMBL 36 via Core Engine