Compound Detail
CHEMBL3770011
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Basic Information
| ChEMBL ID | CHEMBL3770011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIBWZJAHCGOLDB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3771394 |
| Active Moiety | CHEMBL3771394 |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
278.1
MW (Da)
3.40
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 6.65 | 6.64 | 223.9 | 4 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.02 | 6.02 | 949.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 224.0 | nM | 6.65 | Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293... | 26704965 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 223.87 | nM | 6.65 | Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293... | 26704965 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 232.0 | nM | 6.63 | Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293... | 26704965 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 234.42 | nM | 6.63 | Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293... | 26704965 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 949.0 | nM | 6.02 | Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cel... | 26704965 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 954.99 | nM | 6.02 | Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cel... | 26704965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26704965 | 10.1021/acs.jmedchem.5b01153 | 5-hydroxytryptamine receptor 2C | 6 |
| 26704965 | 10.1021/acs.jmedchem.5b01153 | 5-hydroxytryptamine receptor 2B | 6 |
| 26704965 | 10.1021/acs.jmedchem.5b01153 | 5-hydroxytryptamine receptor 2A | 6 |
Data from ChEMBL 36 via Core Engine