Compound Detail
CHEMBL358895
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 | CHEMBL358895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDVQFYXINILZBG-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
2.86
ALogP
5
HBA
0
HBD
45.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.19
Ki 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL323 | Kd | 6.19 | 6.19 | 645.6 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.64 | 5.64 | 2290.9 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 4.89 | 4.89 | 12882.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Kd | = | 645.65 | nM | 6.19 | Negative log concentration of antagonistic compound was determined on 5-hydroxyt... | 11754579 |
| 5-hydroxytryptamine receptor 2B | Kd | = | 645.65 | nM | 6.19 | Compound was evaluated for antagonism against serotonin (5-hydroxytryptamine 2B ... | 11101359 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2290.87 | nM | 5.64 | In vitro affinity against serotonin 5-hydroxytryptamine 2A receptor | 11101359 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 12882.5 | nM | 4.89 | In vitro affinity against serotonin (5-hydroxytryptamine 2C) receptor | 11101359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11754579 | 10.1021/jm011014y | 5-hydroxytryptamine receptor 2A | 2 |
| 11754579 | 10.1021/jm011014y | 5-hydroxytryptamine receptor 2B | 1 |
| 11754579 | 10.1021/jm011014y | 5-hydroxytryptamine receptor 2C | 1 |
| 11754579 | 10.1021/jm011014y | Serotonin receptor 2a and 2b (5HT2A and 5HT2B) | 1 |
| 11754579 | 10.1021/jm011014y | Serotonin receptor 2a and 2c (5HT2A and 5HT2C) | 1 |
| 11101359 | 10.1021/jm0009890 | 5-hydroxytryptamine receptor 2A | 1 |
| 11101359 | 10.1021/jm0009890 | 5-hydroxytryptamine receptor 2C | 1 |
| 11101359 | 10.1021/jm0009890 | D(1A) dopamine receptor | 1 |
| 11101359 | 10.1021/jm0009890 | D(2) dopamine receptor | 1 |
| 11101359 | 10.1021/jm0009890 | Unchecked | 1 |
| 11101359 | 10.1021/jm0009890 | Dopamine D2 receptor and serotonin 2a receptor | 1 |
| 11101359 | 10.1021/jm0009890 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine