Compound Detail
CHEMBL461023
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Basic Information
| ChEMBL ID | CHEMBL461023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKMKMWQSLNWMNJ-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
3.51
ALogP
5
HBA
2
HBD
58.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.47 | 7.47 | 33.5 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.79 | 6.79 | 164.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.0 | 6.0 | 1012.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.96 | 5.96 | 1086.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 5.74 | 5.74 | 1840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 28.0 | nM | 7.55 | Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippoc... | 19072656 |
| D(3) dopamine receptor | Ki | = | 33.5 | nM | 7.47 | Displacement of [3H]7OH-DPAT from dopamine D3 receptor expressed in Sf9 cells by... | 19072656 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 164.0 | nM | 6.79 | Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cort... | 19072656 |
| D(2) dopamine receptor | Ki | = | 1012.0 | nM | 6.0 | Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat... | 19072656 |
| Unchecked | Ki | = | 1086.0 | nM | 5.96 | Displacement of [3H]mesulergine from 5HT2C receptor in CRL:(HA) BR albino guinea... | 19072656 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 1840.0 | nM | 5.74 | Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clam... | 19072656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19072656 | 10.1021/jm800689g | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19072656 | 10.1021/jm800689g | Unchecked | 1 |
| 19072656 | 10.1021/jm800689g | 5-hydroxytryptamine receptor 2A | 1 |
| 19072656 | 10.1021/jm800689g | 5-hydroxytryptamine receptor 1A | 1 |
| 19072656 | 10.1021/jm800689g | D(3) dopamine receptor | 1 |
| 19072656 | 10.1021/jm800689g | D(2) dopamine receptor | 1 |
| 19072656 | 10.1021/jm800689g | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine