Compound Detail
CHEMBL4467404
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Basic Information
| ChEMBL ID | CHEMBL4467404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNVVHHGPERKXNQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
4.35
ALogP
5
HBA
1
HBD
49.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 8.54 | 8.09 | 2.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 2.9 | nM | 8.54 | Agonist activity at human dopamine D2long receptor (unknown origin) expressed in... | 29939744 |
| D(2) dopamine receptor | EC50 | = | 23.0 | nM | 7.64 | Agonist activity at dopamine D2 receptor (unknown origin) expressed in HEK293T c... | 29939744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29939744 | 10.1021/acs.jmedchem.8b00435 | D(2) dopamine receptor | 5 |
Data from ChEMBL 36 via Core Engine