Compound Detail
CHEMBL246794
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Basic Information
| ChEMBL ID | CHEMBL246794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTVQMTFZYWXSRS-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
4.94
ALogP
6
HBA
0
HBD
71.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 6.79 | 6.79 | 164.0 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.48 | 6.48 | 330.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.43 | 6.43 | 370.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.06 | 6.06 | 880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 164.0 | nM | 6.79 | Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed i... | 17448659 |
| Melanin-concentrating hormone receptor 1 | Ki | = | 164.0 | nM | 6.79 | Antagonist activity at MCH1R | 19290642 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 330.0 | nM | 6.48 | Binding affinity to 5HT2A receptor | 17448659 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 370.0 | nM | 6.43 | Binding affinity to muscarinic M1 receptor | 17448659 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 880.0 | nM | 6.06 | Binding affinity to 5HT2C receptor | 17448659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17448659 | 10.1016/j.bmcl.2007.04.012 | Melanin-concentrating hormone receptor 1 | 2 |
| 17448659 | 10.1016/j.bmcl.2007.04.012 | 5-hydroxytryptamine receptor 2A | 1 |
| 17448659 | 10.1016/j.bmcl.2007.04.012 | 5-hydroxytryptamine receptor 2C | 1 |
| 17448659 | 10.1016/j.bmcl.2007.04.012 | Muscarinic acetylcholine receptor M1 | 1 |
| 17448659 | 10.1016/j.bmcl.2007.04.012 | Mus musculus | 1 |
| 19290642 | 10.1021/jm8016199 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine