Compound Detail
CHEMBL4636980
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Basic Information
| ChEMBL ID | CHEMBL4636980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJEBSHOFIMSIIB-UHFFFAOYSA-N |
2
Targets
14
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
4.00
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.03
Ki 6 meas. best 8.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.53 | 8.525 | 3.0 | 2 |
| 5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 CHEMBL4630758 | Ki | 8.19 | 8.0375 | 6.5 | 4 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 8.03 | 8.03 | 9.3 | 2 |
| 5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 CHEMBL4630758 | IC50 | 7.8 | 7.6583 | 16.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32815361 | 10.1021/acs.jmedchem.0c01058 | 5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 | 13 |
| 32815361 | 10.1021/acs.jmedchem.0c01058 | Metabotropic glutamate receptor 2 | 4 |
| 32815361 | 10.1021/acs.jmedchem.0c01058 | 5-hydroxytryptamine receptor 2A | 4 |
Data from ChEMBL 36 via Core Engine