Compound Detail
CHEMBL170735
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Basic Information
| ChEMBL ID | CHEMBL170735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUFQCBNHAQFDIY-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1181432 |
| Active Moiety | CHEMBL1181432 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
317.2
MW (Da)
3.10
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 5.08 | 5.08 | 8250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 8250.0 | nM | 5.08 | Affinity towards [3H]- DOB -labeled 5-hydroxytryptamine 2 receptor sites in rat ... | 3572981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3572981 | 10.1021/jm00388a032 | Rattus norvegicus | 12 |
| 3572981 | 10.1021/jm00388a032 | Serotonin 2 (5-HT2) receptor | 2 |
Data from ChEMBL 36 via Core Engine