Compound Detail
CHEMBL185376
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Basic Information
| ChEMBL ID | CHEMBL185376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXBWGTCHNCXFKQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
5.40
ALogP
4
HBA
2
HBD
63.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | Inhibitory activity against Melanin-concentrating hormone receptor 1 | 15225734 |
| 5-hydroxytryptamine receptor 2B | IC50 | = | 400.0 | nM | 6.4 | Inhibitory activity against human 5-HT2B receptor | 15225734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15225734 | 10.1016/j.bmcl.2004.05.051 | Unchecked | 2 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | Melanin-concentrating hormone receptor 1 | 1 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | 5-hydroxytryptamine receptor 2A | 1 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | 5-hydroxytryptamine receptor 2B | 1 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | 5-hydroxytryptamine receptor 2C | 1 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | D(2) dopamine receptor | 1 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine