Compound Detail
CHEMBL477200
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Basic Information
| ChEMBL ID | CHEMBL477200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGBAGSLZEBECDF-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
399.6
MW (Da)
4.61
ALogP
6
HBA
0
HBD
28.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.54 | 9.155 | 0.3 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.59 | 7.59 | 25.8 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.48 | 7.48 | 33.2 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.02 | 7.02 | 96.1 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.89 | 5.89 | 1280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.29 | nM | 9.54 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippo... | 18598015 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.7 | nM | 8.77 | Antagonist activity at 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus asses... | 18598015 |
| D(2) dopamine receptor | Ki | = | 25.8 | nM | 7.59 | Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat... | 18598015 |
| Unchecked | Ki | = | 33.2 | nM | 7.48 | Displacement of [3H]prazosin from adrenergic receptor alpha1 in CRL:CD(SD)BR-COB... | 18598015 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 96.1 | nM | 7.02 | Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat brai... | 18598015 |
| D(1A) dopamine receptor | Ki | = | 1280.0 | nM | 5.89 | Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat ... | 18598015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18598015 | 10.1021/jm800176x | Unchecked | 5 |
| 18598015 | 10.1021/jm800176x | 5-hydroxytryptamine receptor 1A | 2 |
| 18598015 | 10.1021/jm800176x | D(1A) dopamine receptor | 1 |
| 18598015 | 10.1021/jm800176x | D(2) dopamine receptor | 1 |
| 18598015 | 10.1021/jm800176x | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine