Compound Detail
CHEMBL554199
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Basic Information
| ChEMBL ID | CHEMBL554199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVRAGKJZKRSHGQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL263790 |
| Active Moiety | CHEMBL263790 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
4.65
ALogP
5
HBA
0
HBD
46.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.76 | 8.76 | 1.7 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.7 | 7.7 | 19.9 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.06 | 7.06 | 87.1 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.9 | 6.9 | 125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 1.738 | nM | 8.76 | In vitro ability to displace [3H]ketanserin binding from 5-hydroxytryptamine 2A ... | 10425088 |
| D(2) dopamine receptor | Ki | = | 19.95 | nM | 7.7 | In vitro ability to displace [3H]spiperone binding from dopamine receptor D2 in ... | 10425088 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 87.1 | nM | 7.06 | In vitro ability to displace [3H]mesulergine binding from 5-hydroxytryptamine 2C... | 10425088 |
| D(1A) dopamine receptor | Ki | = | 125.89 | nM | 6.9 | In vitro ability to displace [3H]SCH-23390 binding from Dopamine receptor D1 in ... | 10425088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10425088 | 10.1021/jm981094e | 5-hydroxytryptamine receptor 2A | 3 |
| 10425088 | 10.1021/jm981094e | Mus musculus | 2 |
| 10425088 | 10.1021/jm981094e | D(1A) dopamine receptor | 1 |
| 10425088 | 10.1021/jm981094e | D(2) dopamine receptor | 1 |
| 10425088 | 10.1021/jm981094e | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine