Compound Detail
CHEMBL4451797
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Basic Information
| ChEMBL ID | CHEMBL4451797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKRQNNXDKNTEDN-JCNLHEQBSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
363.9
MW (Da)
3.92
ALogP
2
HBA
1
HBD
35.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.4
IC50 1 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 9.4 | 8.024 | 0.4 | 5 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 0.4 | nM | 9.4 | Partial agonist activity at human D2L receptor expressed in HEK293T cells co-exp... | 30964661 |
| D(2) dopamine receptor | EC50 | = | 10.72 | nM | 7.97 | Partial agonist activity at human Gi/o-coupled D2R expressed in HEK293T cells as... | 30964661 |
| D(2) dopamine receptor | EC50 | = | 11.0 | nM | 7.96 | Partial agonist activity at human Gi/o-coupled D2R expressed in HEK293T cells as... | 30964661 |
| D(2) dopamine receptor | EC50 | = | 40.0 | nM | 7.4 | Partial agonist activity at D2L receptor (unknown origin) expressed in human HTL... | 30964661 |
| D(2) dopamine receptor | EC50 | = | 40.74 | nM | 7.39 | Partial agonist activity at D2L receptor (unknown origin) expressed in human HTL... | 30964661 |
| D(2) dopamine receptor | IC50 | = | 71.0 | nM | 7.15 | Antagonist activity at D2L receptor (unknown origin) expressed in human HTLA cel... | 30964661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30964661 | 10.1021/acs.jmedchem.9b00508 | D(2) dopamine receptor | 12 |
| 30964661 | 10.1021/acs.jmedchem.9b00508 | D(3) dopamine receptor | 2 |
| 30964661 | 10.1021/acs.jmedchem.9b00508 | Mus musculus | 2 |
| 30964661 | 10.1021/acs.jmedchem.9b00508 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine