Compound Detail
CHEMBL213255
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Basic Information
| ChEMBL ID | CHEMBL213255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVBZXJOQEZLHDL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
5.09
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.56
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 7.6 | 7.55 | 25.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 2.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 25.0 | nM | 7.6 | Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed i... | 17448659 |
| Melanin-concentrating hormone receptor 1 | Ki | = | 31.62 | nM | 7.5 | Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells | 16839761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16839761 | 10.1016/j.bmcl.2006.06.056 | Rattus norvegicus | 2 |
| 16839761 | 10.1016/j.bmcl.2006.06.056 | Melanin-concentrating hormone receptor 1 | 1 |
| 16839761 | 10.1016/j.bmcl.2006.06.056 | Liver microsomes | 1 |
| 17448659 | 10.1016/j.bmcl.2007.04.012 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine