Compound Detail
CHEMBL4465281
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Basic Information
| ChEMBL ID | CHEMBL4465281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABHDCLDAAZIPMQ-XGAFWQRZSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.5
MW (Da)
4.05
ALogP
2
HBA
1
HBD
35.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 7.33 | 6.92 | 46.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 47.0 | nM | 7.33 | Partial agonist activity at human Gi/o-coupled D2R expressed in HEK293T cells as... | 30964661 |
| D(2) dopamine receptor | EC50 | = | 46.77 | nM | 7.33 | Partial agonist activity at human Gi/o-coupled D2R expressed in HEK293T cells as... | 30964661 |
| D(2) dopamine receptor | EC50 | = | 312.0 | nM | 6.51 | Partial agonist activity at D2L receptor (unknown origin) expressed in human HTL... | 30964661 |
| D(2) dopamine receptor | EC50 | = | 309.03 | nM | 6.51 | Partial agonist activity at D2L receptor (unknown origin) expressed in human HTL... | 30964661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30964661 | 10.1021/acs.jmedchem.9b00508 | D(2) dopamine receptor | 7 |
| 30964661 | 10.1021/acs.jmedchem.9b00508 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine