Compound Detail
CHEMBL3409242
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Basic Information
| ChEMBL ID | CHEMBL3409242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKDBPNNUSSEBFR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
543.1
MW (Da)
6.21
ALogP
5
HBA
1
HBD
49.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.14 | 8.14 | 7.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 1.3 | nM | 8.89 | Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 recepto... | 25557493 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 7.3 | nM | 8.14 | Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-2... | 25557493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25557493 | 10.1016/j.ejmech.2014.12.045 | D(2) dopamine receptor | 4 |
| 25557493 | 10.1016/j.ejmech.2014.12.045 | 5-hydroxytryptamine receptor 6 | 2 |
| 25557493 | 10.1016/j.ejmech.2014.12.045 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 25557493 | 10.1016/j.ejmech.2014.12.045 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine