Compound Detail
CHEMBL212545
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Basic Information
| ChEMBL ID | CHEMBL212545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZMPQKFRLPKDJE-OBGWFSINSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
2.53
ALogP
6
HBA
1
HBD
52.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | EC50 | 7.3 | 7.3 | 49.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | EC50 | = | 49.5 | nM | 7.3 | Activity at human recombinant D4.4 receptor expressed in HEK293 cells by FLIPR a... | 16913699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16913699 | 10.1021/jm060279f | D(2) dopamine receptor | 2 |
| 16913699 | 10.1021/jm060279f | D(4) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine