Compound Detail
CHEMBL5425738
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O=C1[C@@H]2[C@@H]3C[C@@H](C[C@H]3O)[C@@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1
Basic Information
| ChEMBL ID | CHEMBL5425738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVTNTCYRWHASTQ-IYPUAYAFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
508.7
MW (Da)
3.23
ALogP
7
HBA
1
HBD
77.0
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 24.0 | nM | 7.62 | Displacement of [3H]-LSD from human 5-HT2B receptor assessed as inhibition const... | 37584406 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37584406 | 10.1021/acs.jmedchem.3c01178 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine