Compound Detail
CHEMBL5414080
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Basic Information
| ChEMBL ID | CHEMBL5414080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOLXIJFXUSEQJE-UHFFFAOYSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
3.96
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.6
Ki 2 meas. best 10.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 10.5 | 9.9 | 0.0 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 9.6 | 8.55 | 0.3 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.03162 | nM | 10.5 | Displacement of [3H]ketanserin from human 5-HT2A receptor incubated for 120 mins... | 37378639 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 0.2512 | nM | 9.6 | Inverse agonist activity at human postmortem human brain membrane 5-HT2A recepto... | 37378639 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 0.2512 | nM | 9.6 | Inverse agonist activity at human 5-HT2A receptor assessed as increase in [35S]G... | 37378639 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.5012 | nM | 9.3 | Displacement of [3H]ketanserin from postmortem human brain membrane homogenate 5... | 37378639 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 12.6 | nM | 7.9 | Inverse agonist activity at human prefrontal cortex 5-HT2A receptor assessed as ... | 37378639 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 79.4 | nM | 7.1 | Inverse agonist activity at human 5-HT2A receptor expressed in cell membrane ass... | 37378639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37378639 | 10.1021/acs.jmedchem.3c00662 | 5-hydroxytryptamine receptor 2A | 11 |
Data from ChEMBL 36 via Core Engine