Compound Detail
CHEMBL4441636
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Basic Information
| ChEMBL ID | CHEMBL4441636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCMCQXPLCVUZML-RZDIXWSQSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
2.99
ALogP
4
HBA
1
HBD
54.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 8.01 | 7.795 | 9.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 9.772 | nM | 8.01 | Partial agonist activity at human Gi/o-coupled D2R expressed in HEK293T cells as... | 30964661 |
| D(2) dopamine receptor | EC50 | = | 10.0 | nM | 8.0 | Partial agonist activity at human Gi/o-coupled D2R expressed in HEK293T cells as... | 30964661 |
| D(2) dopamine receptor | EC50 | = | 25.7 | nM | 7.59 | Partial agonist activity at D2L receptor (unknown origin) expressed in human HTL... | 30964661 |
| D(2) dopamine receptor | EC50 | = | 26.0 | nM | 7.58 | 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