Compound Detail
CHEMBL4437012
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Basic Information
| ChEMBL ID | CHEMBL4437012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTTAMIBXPRNVCC-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
5.00
ALogP
5
HBA
0
HBD
61.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 8.93 | 7.725 | 1.2 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | EC50 | = | 1.175 | nM | 8.93 | Agonist activity at recombinant human D1 receptor expressed in HEK29T cells asse... | 30875219 |
| D(1A) dopamine receptor | EC50 | = | 1.2 | nM | 8.92 | Agonist activity at recombinant human D1 receptor expressed in HEK29T cells asse... | 30875219 |
| D(1A) dopamine receptor | EC50 | = | 81.0 | nM | 7.09 | Agonist activity at wild type human D1R expressed in HEK293 cells assessed as ef... | 31098001 |
| D(1A) dopamine receptor | EC50 | = | 1100.0 | nM | 5.96 | Agonist activity at wild type human D1R expressed in HEK293 cells assessed as ef... | 31098001 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30875219 | 10.1021/acs.jmedchem.9b00351 | D(1A) dopamine receptor | 5 |
| 31098001 | 10.1021/acsmedchemlett.9b00050 | D(1A) dopamine receptor | 4 |
Data from ChEMBL 36 via Core Engine