Compound Detail
CHEMBL220521
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Basic Information
| ChEMBL ID | CHEMBL220521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGSBXAJKEQTLFT-QMMMGPOBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
252.7
MW (Da)
1.45
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.3 | 5.3 | 5060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 5060.0 | nM | 5.3 | Displacement of [125I]DOI from human recombinant 5HT2C expressed in HEK293E cell... | 17315987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17315987 | 10.1021/jm0612968 | 5-hydroxytryptamine receptor 2A | 3 |
| 17315987 | 10.1021/jm0612968 | 5-hydroxytryptamine receptor 2C | 3 |
| 17315987 | 10.1021/jm0612968 | 5-hydroxytryptamine receptor 2B | 3 |
Data from ChEMBL 36 via Core Engine