Compound Detail
CHEMBL2448165
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Basic Information
| ChEMBL ID | CHEMBL2448165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRKYTIJPEALHEE-YFCKSMKJSA-N |
5
Targets
6
Activities
3
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
321.8
MW (Da)
1.61
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.92
EC50 2 meas. best 7.29
IC50 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | EC50 | 7.29 | 7.29 | 51.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 1.2 | nM | 8.92 | Compound was evaluated in vivo for the antagonistic activity towards 5-hydroxytr... | - |
| Serotonin 3 (5-HT3) receptor | Ki | = | 1.2 | nM | 8.92 | Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat | 16451077 |
| Unchecked | IC50 | = | 2.3 | nM | 8.64 | Concentration required for inhibition of 5-hydroxytryptamine 3 receptor using [3... | 15482914 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 29.0 | nM | 7.54 | Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum | 16451077 |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 51.3 | nM | 7.29 | Compound was evaluated for the agonistic activity towards 5-hydroxytryptamine 4 ... | - |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 51.0 | nM | 7.29 | Agonism at 5HT4 receptor in rat tunica muscularis mucosa | 16451077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15482914 | 10.1016/j.bmcl.2004.09.005 | Unchecked | 5 |
| 16451077 | 10.1021/jm0509501 | 5-hydroxytryptamine receptor 4 | 2 |
| 16451077 | 10.1021/jm0509501 | Beta-2 adrenergic receptor | 1 |
| - | 10.1016/S0960-894X(00)80441-2 | 5-hydroxytryptamine receptor 4 | 1 |
| 16451077 | 10.1021/jm0509501 | Beta-1 adrenergic receptor | 1 |
| 16451077 | 10.1021/jm0509501 | Adrenergic receptor alpha-2 | 1 |
| 16451077 | 10.1021/jm0509501 | Adrenergic receptor alpha-1 | 1 |
| 16451077 | 10.1021/jm0509501 | D(2) dopamine receptor | 1 |
| 16451077 | 10.1021/jm0509501 | D(1A) dopamine receptor | 1 |
| 16451077 | 10.1021/jm0509501 | Serotonin 2 (5-HT2) receptor | 1 |
| 16451077 | 10.1021/jm0509501 | Unchecked | 1 |
| 16451077 | 10.1021/jm0509501 | Serotonin 3 (5-HT3) receptor | 1 |
| 15482914 | 10.1016/j.bmcl.2004.09.005 | Adrenergic receptor beta | 1 |
| 15482914 | 10.1016/j.bmcl.2004.09.005 | Adrenergic receptor alpha-2 | 1 |
| 15482914 | 10.1016/j.bmcl.2004.09.005 | Adrenergic receptor alpha-1 | 1 |
| 15482914 | 10.1016/j.bmcl.2004.09.005 | Serotonin 2 (5-HT2) receptor | 1 |
| 15149647 | 10.1016/j.bmcl.2004.04.021 | 5-hydroxytryptamine receptor 4 | 1 |
| - | 10.1016/S0960-894X(00)80441-2 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(00)80441-2 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine