Compound Detail
CHEMBL5424175
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Basic Information
| ChEMBL ID | CHEMBL5424175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZAHEVLLVSEENQ-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
8
PK Parameters
4
Publications
0
Known Names
Molecular Properties
278.1
MW (Da)
2.70
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.25
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 8.25 | 8.05 | 5.6 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.24 | 7.235 | 58.0 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.72 | 6.72 | 189.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 58.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 57.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 34.2 | mL.min-1.kg-1 | Rattus norvegicus |
| Fu | 0.12 | - | Homo sapiens |
| Fu | 0.13 | - | Rattus norvegicus |
| Fu | 0.12 | - | Mus musculus |
| T1/2 | 2.8 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38352850 | 10.1021/acsmedchemlett.3c00566 | ADMET | 12 |
| 38352850 | 10.1021/acsmedchemlett.3c00566 | 5-hydroxytryptamine receptor 2A | 4 |
| 38352850 | 10.1021/acsmedchemlett.3c00566 | 5-hydroxytryptamine receptor 2B | 3 |
| 38352850 | 10.1021/acsmedchemlett.3c00566 | 5-hydroxytryptamine receptor 2C | 3 |
Data from ChEMBL 36 via Core Engine