Compound Detail
CHEMBL268800
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Basic Information
| ChEMBL ID | CHEMBL268800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYAPSMFCSAKSOR-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
204.3
MW (Da)
1.99
ALogP
2
HBA
2
HBD
51.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.1 | 7.055 | 80.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 6.16 | 6.16 | 690.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 6.1 | 6.1 | 800.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.97 | 5.97 | 1060.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 80.0 | nM | 7.1 | Binding affinity towards human 5-hydroxytryptamine 6 receptor | 12825922 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 98.0 | nM | 7.01 | Binding affinity for human 5-hydroxytryptamine 6 receptor expressed in HEK 293 h... | 10715164 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 690.0 | nM | 6.16 | Binding affinity was determined against 5-hydroxytryptamine 1C receptor was dete... | 2299641 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 800.0 | nM | 6.1 | Binding affinity was determined against 5-hydroxytryptamine 1B receptor was dete... | 2299641 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 1060.0 | nM | 5.97 | Binding affinity was determined against 5-hydroxytryptamine 1D receptor in bovin... | 2299641 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1300.0 | nM | 5.89 | Binding affinity was determined against 5-hydroxytryptamine 1A receptor was dete... | 2299641 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 6 | 1 |
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 3A | 1 |
| 10715164 | 10.1021/jm990550b | 5-hydroxytryptamine receptor 6 | 1 |
| 10715164 | 10.1021/jm990550b | 5-hydroxytryptamine receptor 3A | 1 |
| 2299641 | 10.1021/jm00164a046 | 5-hydroxytryptamine receptor 1A | 1 |
| 2299641 | 10.1021/jm00164a046 | 5-hydroxytryptamine receptor 1B | 1 |
| 2299641 | 10.1021/jm00164a046 | 5-hydroxytryptamine receptor 2C | 1 |
| 2299641 | 10.1021/jm00164a046 | 5-hydroxytryptamine receptor 1D | 1 |
| 2299641 | 10.1021/jm00164a046 | 5-hydroxytryptamine receptor 1E | 1 |
| 2299641 | 10.1021/jm00164a046 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine