Compound Detail
CHEMBL2448558
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Basic Information
| ChEMBL ID | CHEMBL2448558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZSKEXSLDPEFPT-YGRLFVJLSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
323.8
MW (Da)
2.14
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 6 meas. best 8.9
EC50 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Kd | 8.9 | 8.2833 | 1.3 | 6 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | EC50 | 7.01 | 7.01 | 98.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Kd | = | 1.259 | nM | 8.9 | Potency at neuronal 5-hydroxytryptamine 3 receptors in the rabbit heart | 2342053 |
| Serotonin 3 (5-HT3) receptor | Kd | = | 2.512 | nM | 8.6 | Evaluated for the antagonistic activity against Serotonin 5-hydroxytryptamine 3 ... | - |
| Serotonin 3 (5-HT3) receptor | Kd | = | 3.162 | nM | 8.5 | Binding affinity to 5-hydroxytryptamine 3 receptor of neuronal in the afferent r... | 2342053 |
| Serotonin 3 (5-HT3) receptor | Kd | = | 3.162 | nM | 8.5 | Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolat... | - |
| Serotonin 3 (5-HT3) receptor | Kd | = | 25.12 | nM | 7.6 | Potency to 5-hydroxytryptamine 3 receptor entirely in guinea pig ileum | 2342053 |
| Serotonin 3 (5-HT3) receptor | Kd | = | 25.12 | nM | 7.6 | Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor of isolat... | - |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 98.0 | nM | 7.01 | Agonism at 5HT4 receptor in rat tunica muscularis mucosa | 16451077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2342053 | 10.1021/jm00168a011 | Serotonin 3 (5-HT3) receptor | 3 |
| - | 10.1016/S0960-894X(00)80170-5 | Serotonin 3 (5-HT3) receptor | 3 |
| 8459397 | 10.1021/jm00058a004 | 5-hydroxytryptamine receptor 4 | 2 |
| 8459397 | 10.1021/jm00058a004 | Canis familiaris | 2 |
| 8459397 | 10.1021/jm00058a004 | Serotonin 3 (5-HT3) receptor | 2 |
| - | 10.1016/S0960-894X(00)80170-5 | 5-hydroxytryptamine receptor 4 | 2 |
| 16451077 | 10.1021/jm0509501 | Canis familiaris | 2 |
| 2342053 | 10.1021/jm00168a011 | Serotonin 3 receptor (5HT3) | 1 |
| - | 10.1016/S0960-894X(00)80170-5 | Serotonin 3 receptor (5HT3) | 1 |
| 16451077 | 10.1021/jm0509501 | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine