Compound Detail
CHEMBL422587
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Basic Information
| ChEMBL ID | CHEMBL422587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPUZNBQJTXDJJT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
4.88
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.09 | 8.09 | 8.1 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 7.4 | 7.4 | 39.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 8.128 | nM | 8.09 | Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalia... | 12014957 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 39.81 | nM | 7.4 | In vitro binding affinity to 5-hydroxytryptamine 2 receptor of rat cerebral cort... | 12014957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12014957 | 10.1021/jm0104264 | 5-hydroxytryptamine receptor 7 | 1 |
| 12014957 | 10.1021/jm0104264 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine