Compound Detail
CHEMBL523305
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Basic Information
| ChEMBL ID | CHEMBL523305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEYYAEMUCGROAL-FQEVSTJZSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
2.89
ALogP
5
HBA
2
HBD
81.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.21
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | Ki | = | 3.0 | nM | 8.52 | Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expres... | 19459652 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 6100.0 | nM | 5.21 | Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4... | 19459652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19459652 | 10.1021/jm900110t | ADMET | 2 |
| 19459652 | 10.1021/jm900110t | Neuropeptide Y receptor type 5 | 1 |
| 19459652 | 10.1021/jm900110t | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19459652 | 10.1021/jm900110t | No relevant target | 1 |
| 19459652 | 10.1021/jm900110t | Hepatocyte | 1 |
| 19459652 | 10.1021/jm900110t | Rattus norvegicus | 1 |
| 19459652 | 10.1021/jm900110t | Brain | 1 |
| 19459652 | 10.1021/jm900110t | Cerebrospinal fluid | 1 |
Data from ChEMBL 36 via Core Engine