Compound Detail
CHEMBL4544802
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Basic Information
| ChEMBL ID | CHEMBL4544802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBKOPAJOLXKSND-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
2.84
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.79 | 6.79 | 161.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.22 | 5.22 | 6062.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 161.0 | nM | 6.79 | Displacement of [3H]-5-CT from recombinant human 5HT7b receptor expressed in HEK... | 30568756 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 6062.0 | nM | 5.22 | Displacement of [3H]-LSD from recombinant human 5HT6 receptor expressed in HEK29... | 30568756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30568756 | 10.1039/C8MD00313K | D(2) dopamine receptor | 1 |
| 30568756 | 10.1039/C8MD00313K | 5-hydroxytryptamine receptor 7 | 1 |
| 30568756 | 10.1039/C8MD00313K | 5-hydroxytryptamine receptor 6 | 1 |
| 30568756 | 10.1039/C8MD00313K | 5-hydroxytryptamine receptor 2A | 1 |
| 30568756 | 10.1039/C8MD00313K | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine