Compound Detail
CHEMBL4438800
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Basic Information
| ChEMBL ID | CHEMBL4438800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXZVPWFCOOICMZ-QGZVFWFLSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.3
MW (Da)
4.05
ALogP
5
HBA
0
HBD
55.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 6.48 | 6.465 | 333.9 | 2 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 5.9 | 5.875 | 1258.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | EC50 | = | 333.9 | nM | 6.48 | Agonist activity at D1R (unknown origin) transfected in human HEK293T cells asse... | 32184974 |
| D(1A) dopamine receptor | EC50 | = | 354.81 | nM | 6.45 | Agonist activity at D1R (unknown origin) transfected in human HEK293T cells asse... | 32184974 |
| D(2) dopamine receptor | EC50 | = | 1258.93 | nM | 5.9 | Agonist activity at C-terminal RLuc8-fused D2 long receptor (unknown origin) tra... | 32184974 |
| D(2) dopamine receptor | EC50 | = | 1412.0 | nM | 5.85 | Agonist activity at C-terminal RLuc8-fused D2 long receptor (unknown origin) tra... | 32184974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32184974 | 10.1021/acsmedchemlett.9b00575 | D(1A) dopamine receptor | 6 |
| 32184974 | 10.1021/acsmedchemlett.9b00575 | D(2) dopamine receptor | 6 |
Data from ChEMBL 36 via Core Engine