Compound Detail
CHEMBL4591021
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Basic Information
| ChEMBL ID | CHEMBL4591021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPWPMBBGPVNIJD-QGZVFWFLSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.40
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 9.52 | 7.295 | 0.3 | 4 |
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 8.1 | 8.085 | 7.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 0.3 | nM | 9.52 | Agonist activity at C-terminal RLuc8-fused D2 long receptor (unknown origin) tra... | 32184974 |
| D(2) dopamine receptor | EC50 | = | 0.3162 | nM | 9.5 | Agonist activity at C-terminal RLuc8-fused D2 long receptor (unknown origin) tra... | 32184974 |
| D(1A) dopamine receptor | EC50 | = | 7.943 | nM | 8.1 | Agonist activity at C-terminal RLuc8-fused D1R (unknown origin) transfected in h... | 32184974 |
| D(1A) dopamine receptor | EC50 | = | 8.45 | nM | 8.07 | Agonist activity at C-terminal RLuc8-fused D1R (unknown origin) transfected in h... | 32184974 |
| D(2) dopamine receptor | EC50 | = | 8317.64 | nM | 5.08 | Agonist activity at D2 long receptor (unknown origin) transfected in human HEK29... | 32184974 |
| D(2) dopamine receptor | EC50 | = | 8236.0 | nM | 5.08 | Agonist activity at D2 long receptor (unknown origin) transfected in human HEK29... | 32184974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32184974 | 10.1021/acsmedchemlett.9b00575 | D(2) dopamine receptor | 7 |
| 32184974 | 10.1021/acsmedchemlett.9b00575 | D(1A) dopamine receptor | 6 |
Data from ChEMBL 36 via Core Engine