Compound Detail
CHEMBL5204619
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Basic Information
| ChEMBL ID | CHEMBL5204619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLMFUBCMJSPRPY-VJVAEEBKSA-N |
| Parent Compound | CHEMBL5172469 |
| Active Moiety | CHEMBL5172469 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
3.68
ALogP
3
HBA
0
HBD
28.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2095200 | Ki | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 0.5 | nM | 9.3 | Binding affinity to cerebrum 5-HT2 receptor (unknown origin) | 35939391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35939391 | 10.1021/acs.jmedchem.2c00633 | ADMET | 2 |
| 35939391 | 10.1021/acs.jmedchem.2c00633 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine