Compound Detail
CHEMBL511609
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Basic Information
| ChEMBL ID | CHEMBL511609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVWYYWIRLPBRTO-JSGCOSHPSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
421.3
MW (Da)
0.72
ALogP
3
HBA
6
HBD
135.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.1
Ki 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.33 | 5.33 | 4630.0 | 1 |
| Amphibalanus improvisus CHEMBL613909 | EC50 | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 4630.0 | nM | 5.33 | Displacement of [N-methyl-3H]LSD from human 5HT2C receptor expressed in HEK293 c... | 17067154 |
| Amphibalanus improvisus | EC50 | = | 7900.0 | nM | 5.1 | Inhibition of settlement of barnacle larvae of Balanus improvisus | 17067154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17067154 | 10.1021/np0601760 | Amphibalanus improvisus | 1 |
| 17067154 | 10.1021/np0601760 | 5-hydroxytryptamine receptor 1A | 1 |
| 17067154 | 10.1021/np0601760 | 5-hydroxytryptamine receptor 1D | 1 |
| 17067154 | 10.1021/np0601760 | 5-hydroxytryptamine receptor 2A | 1 |
| 17067154 | 10.1021/np0601760 | 5-hydroxytryptamine receptor 2C | 1 |
| 17067154 | 10.1021/np0601760 | 5-hydroxytryptamine receptor 3A | 1 |
| 17067154 | 10.1021/np0601760 | 5-hydroxytryptamine receptor 4 | 1 |
| 17067154 | 10.1021/np0601760 | 5-hydroxytryptamine receptor 5A | 1 |
| 17067154 | 10.1021/np0601760 | 5-hydroxytryptamine receptor 6 | 1 |
| 17067154 | 10.1021/np0601760 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine