Compound Detail
CHEMBL273921
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Basic Information
| ChEMBL ID | CHEMBL273921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOTITFQGTVUMBT-UHFFFAOYSA-N |
16
Targets
16
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
3.61
ALogP
5
HBA
1
HBD
61.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 13 meas. best 8.65
IC50 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.65 | 8.65 | 2.2 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 8.65 | 8.65 | 2.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.63 | 6.63 | 234.4 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.63 | 6.63 | 234.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.52 | 6.52 | 302.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.32 | 6.32 | 478.6 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.32 | 6.32 | 479.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 5.91 | 5.91 | 1230.3 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 5.83 | 5.83 | 1479.1 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.77 | 5.77 | 1698.2 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.62 | 5.62 | 2398.8 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.48 | 5.48 | 3311.3 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine