Compound Detail
CHEMBL3289972
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Basic Information
| ChEMBL ID | CHEMBL3289972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHNJWNWKMNDAAR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
467.0
MW (Da)
3.50
ALogP
6
HBA
1
HBD
78.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 0.1 | nM | 10.0 | Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO-K... | 24805037 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 17.0 | nM | 7.77 | Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed ... | 24805037 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 27.0 | nM | 7.57 | Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK2... | 24805037 |
| D(2) dopamine receptor | Ki | = | 77.0 | nM | 7.11 | Displacement of [3H]N-methylspiperone from human recombinant D2 receptor express... | 24805037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24805037 | 10.1021/jm401895u | 5-hydroxytryptamine receptor 6 | 1 |
| 24805037 | 10.1021/jm401895u | 5-hydroxytryptamine receptor 7 | 1 |
| 24805037 | 10.1021/jm401895u | 5-hydroxytryptamine receptor 2A | 1 |
| 24805037 | 10.1021/jm401895u | D(2) dopamine receptor | 1 |
| 24805037 | 10.1021/jm401895u | Muscarinic acetylcholine receptor M1 | 1 |
| 24805037 | 10.1021/jm401895u | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine