Compound Detail
CHEMBL383577
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Basic Information
| ChEMBL ID | CHEMBL383577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSJJCSVABNNXON-JSGCOSHPSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
2.21
ALogP
5
HBA
0
HBD
47.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.4
Kd 1 meas. best 8.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | Kd | 8.56 | 8.56 | 2.8 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 0.4 | nM | 9.4 | Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum | 16451077 |
| 5-hydroxytryptamine receptor 4 | Kd | = | 2.754 | nM | 8.56 | Antagonism at 5HT4 receptor in rat tunica muscularis mucosa | 16451077 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 20.0 | nM | 7.7 | Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat | 16451077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451077 | 10.1021/jm0509501 | 5-hydroxytryptamine receptor 4 | 2 |
| 16451077 | 10.1021/jm0509501 | Serotonin 3 (5-HT3) receptor | 1 |
| 16451077 | 10.1021/jm0509501 | Serotonin 2 (5-HT2) receptor | 1 |
| 16451077 | 10.1021/jm0509501 | Unchecked | 1 |
| 16451077 | 10.1021/jm0509501 | D(1A) dopamine receptor | 1 |
| 16451077 | 10.1021/jm0509501 | D(2) dopamine receptor | 1 |
| 16451077 | 10.1021/jm0509501 | Adrenergic receptor alpha-1 | 1 |
| 16451077 | 10.1021/jm0509501 | Adrenergic receptor alpha-2 | 1 |
| 16451077 | 10.1021/jm0509501 | Beta-1 adrenergic receptor | 1 |
| 16451077 | 10.1021/jm0509501 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine