Compound Detail
CHEMBL142668
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Basic Information
| ChEMBL ID | CHEMBL142668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHYVILBATXSTKS-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
3.44
ALogP
5
HBA
0
HBD
53.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.39
Kd 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 6.39 | 6.39 | 407.4 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL323 | Kd | 6.36 | 6.36 | 436.5 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.02 | 6.02 | 955.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 407.38 | nM | 6.39 | Affinity against Dopamine receptor D2 | 11101359 |
| 5-hydroxytryptamine receptor 2B | Kd | = | 436.52 | nM | 6.36 | Negative log concentration of antagonist was determined on 5-hydroxytryptamine 2... | 11754579 |
| 5-hydroxytryptamine receptor 2B | Kd | = | 436.52 | nM | 6.36 | Compound was evaluated for antagonism against serotonin (5-hydroxytryptamine 2B ... | 11101359 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 954.99 | nM | 6.02 | Inhibitory constant on 5-hydroxytryptamine 2A receptor of Rat frontal cortex | 11754579 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 954.99 | nM | 6.02 | In vitro affinity against serotonin 5-hydroxytryptamine 2A 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