Compound Detail
CHEMBL3961589
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Basic Information
| ChEMBL ID | CHEMBL3961589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQVLVCSWADKTFR-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
3.53
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.7 | 7.7 | 19.9 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 19.95 | nM | 7.7 | Agonist activity at unedited 5-HT2C receptor (unknown origin) expressed in HEK29... | 27864071 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 7943.28 | nM | 5.1 | Agonist activity at 5-HT2B receptor (unknown origin) expressed in HEK293 cells a... | 27864071 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27864071 | 10.1016/j.bmcl.2016.11.016 | 5-hydroxytryptamine receptor 2C | 2 |
| 27864071 | 10.1016/j.bmcl.2016.11.016 | 5-hydroxytryptamine receptor 2B | 2 |
Data from ChEMBL 36 via Core Engine