Compound Detail
CHEMBL4209572
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Basic Information
| ChEMBL ID | CHEMBL4209572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDVQTLLBHWRZQL-SNVBAGLBSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
189.3
MW (Da)
0.81
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.21 | 7.205 | 61.2 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.03 | 7.015 | 93.4 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | EC50 | = | 61.2 | nM | 7.21 | Agonist activity at recombinant 5-HT2B receptor (unknown origin) expressed in HE... | 30258529 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 63.1 | nM | 7.2 | Agonist activity at 5-HT2BR (unknown origin) transfected in human HEK293 cells b... | 33636307 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 93.4 | nM | 7.03 | Agonist activity at recombinant 5-HT2C receptor (unknown origin) expressed in HE... | 30258529 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 100.0 | nM | 7.0 | Agonist activity at 5-HT2CR (unknown origin) transfected in human HEK293 cells b... | 33636307 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 100000.0 | nM | 4.0 | Agonist activity at recombinant 5-HT2A receptor (unknown origin) expressed in HE... | 30258529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33636307 | 10.1016/j.bmcl.2021.127872 | 5-hydroxytryptamine receptor 2B | 2 |
| 33636307 | 10.1016/j.bmcl.2021.127872 | 5-hydroxytryptamine receptor 2C | 2 |
| 30258529 | 10.1021/acsmedchemlett.8b00328 | 5-hydroxytryptamine receptor 2A | 1 |
| 30258529 | 10.1021/acsmedchemlett.8b00328 | 5-hydroxytryptamine receptor 2B | 1 |
| 30258529 | 10.1021/acsmedchemlett.8b00328 | 5-hydroxytryptamine receptor 2C | 1 |
| 33636307 | 10.1016/j.bmcl.2021.127872 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine