Compound Detail
CHEMBL80298
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Basic Information
| ChEMBL ID | CHEMBL80298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVNCRRZKBNSMIV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
144.2
MW (Da)
1.82
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 56000.0 | nM | 4.25 | Displacement of [3H]5-HT from 5-hydroxytryptamine 1 receptor of rat cortical mem... | 3783595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31922756 | 10.1021/acs.jmedchem.9b01492 | Neutrophil cytosol factor 1 | 2 |
| 3783595 | 10.1021/jm00161a038 | Unchecked | 1 |
| 3783595 | 10.1021/jm00161a038 | Serotonin 2 (5-HT2) receptor | 1 |
| 10649984 | 10.1021/jm990437l | Ferriprotoporphyrin IX | 1 |
| 10649984 | 10.1021/jm990437l | Histidine-rich protein PFHRP-II | 1 |
| 10649984 | 10.1021/jm990437l | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine