Compound Detail
CHEMBL60830
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Basic Information
| ChEMBL ID | CHEMBL60830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHGWDAICBXUJDU-JTQLQIEISA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
272.1
MW (Da)
1.72
ALogP
3
HBA
2
HBD
44.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.18
EC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.18 | 6.86 | 66.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 66.0 | nM | 7.18 | Binding affinity using [125I]DOI as radioligand with membranes isolated from a C... | 10987434 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 290.0 | nM | 6.54 | Agonistic activity for 5-HT2c (5-HT2C) by measuring [3H]inositol monophosphate f... | 10987434 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 285.0 | nM | 6.54 | Binding affinity using [3H]mesulergine as radioligand with receptor membranes is... | 10987434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10987434 | 10.1016/s0960-894x(00)00400-5 | 5-hydroxytryptamine receptor 2C | 3 |
| 10987434 | 10.1016/s0960-894x(00)00400-5 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine