Compound Detail
CHEMBL4849693
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Basic Information
| ChEMBL ID | CHEMBL4849693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHABTHCQCIQHSP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
2.84
ALogP
6
HBA
1
HBD
67.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.11
Ki 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL3666 | Kd | 7.11 | 7.11 | 77.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4.48 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 11.0 | nM | 7.96 | Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membr... | 34467765 |
| 5-hydroxytryptamine receptor 3A | Kd | = | 77.62 | nM | 7.11 | Antagonist activity at 5-HT3 receptor in guinea-pig ileum assessed as inhibition... | 34467765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34467765 | 10.1021/acs.jmedchem.1c00224 | 5-hydroxytryptamine receptor 3A | 3 |
| 34467765 | 10.1021/acs.jmedchem.1c00224 | 5-hydroxytryptamine receptor 6 | 2 |
| 34467765 | 10.1021/acs.jmedchem.1c00224 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine