Compound Detail
CHEMBL4796102
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Basic Information
| ChEMBL ID | CHEMBL4796102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRMVWCMITUAMCV-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
3.55
ALogP
4
HBA
1
HBD
74.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.3
IC50 1 meas. best 5.2
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 6.3 | 6.3 | 501.2 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 79.43 | nM | 7.1 | Antagonist activity at 5HT2B receptor (unknown origin) by radioligand binding as... | 32853682 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 501.19 | nM | 6.3 | Agonist activity at 5-HT2B receptor (unknown origin) by calcium mobilization ass... | 32853682 |
| 5-hydroxytryptamine receptor 2B | IC50 | = | 6309.57 | nM | 5.2 | Antagonist activity at 5-HT2B receptor (unknown origin) assessed as inhibition o... | 32853682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32853682 | 10.1016/j.bmcl.2020.127511 | 5-hydroxytryptamine receptor 2B | 5 |
| 32853682 | 10.1016/j.bmcl.2020.127511 | 5-hydroxytryptamine receptor 2C | 1 |
| 32853682 | 10.1016/j.bmcl.2020.127511 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine