Compound Detail
CHEMBL401328
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Basic Information
| ChEMBL ID | CHEMBL401328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYFSCTYDZYUMSC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
1.05
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | EC50 | 6.06 | 6.06 | 864.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 5.14 | 5.14 | 7200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | EC50 | = | 864.0 | nM | 6.06 | Agonist activity at human recombinant dopamine D3 receptor expressed in CHO cell... | 17976986 |
| D(2) dopamine receptor | EC50 | = | 7200.0 | nM | 5.14 | Agonist activity at human recombinant dopamine D2 receptor expressed in rat pitu... | 17976986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 3 |
| - | 10.6019/CHEMBL4513160 | Pseudomonas aeruginosa | 2 |
| 17976986 | 10.1016/j.bmcl.2007.10.059 | D(2) dopamine receptor | 1 |
| 17976986 | 10.1016/j.bmcl.2007.10.059 | D(3) dopamine receptor | 1 |
| - | 10.6019/CHEMBL4513160 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine