Compound Detail
CHEMBL5575992
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5575992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQRKHYJZSCKWTF-VWLOTQADSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
5.06
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.61
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 9.25 | 9.25 | 0.6 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.24 | 9.24 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 0.56 | nM | 9.25 | Displacement of [3H]ketanserin from human 5-HT2C receptor transfected in Jump-In... | 39137033 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.57 | nM | 9.24 | Displacement of [3H]ketanserin from human 5-HT2A receptor transfected in Jump-In... | 39137033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39137033 | 10.1021/acs.jmedchem.4c01244 | No relevant target | 2 |
| 39137033 | 10.1021/acs.jmedchem.4c01244 | ADMET | 2 |
| 39137033 | 10.1021/acs.jmedchem.4c01244 | 5-hydroxytryptamine receptor 2A | 1 |
| 39137033 | 10.1021/acs.jmedchem.4c01244 | 5-hydroxytryptamine receptor 2C | 1 |
| 39137033 | 10.1021/acs.jmedchem.4c01244 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 39137033 | 10.1021/acs.jmedchem.4c01244 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine