Compound Detail
CHEMBL5200484
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Basic Information
| ChEMBL ID | CHEMBL5200484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVNMMNCGRUJQPK-GJQNQZCXSA-N |
| Parent Compound | CHEMBL4066660 |
| Active Moiety | CHEMBL4066660 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
4.80
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.82
Ki 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Advanced glycosylation end product-specific receptor CHEMBL2176846 | Kd | 7.82 | 7.82 | 15.0 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Advanced glycosylation end product-specific receptor | Kd | = | 15.0 | nM | 7.82 | Binding affinity to RAGE (unknown origin) assessed as dissociation constant | 34905377 |
| Melatonin receptor type 1A | Ki | = | 90.0 | nM | 7.05 | Binding affinity to human melatonin MT1 assessed as inhibition constant | 34905377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34905377 | 10.1021/acs.jmedchem.1c01571 | Advanced glycosylation end product-specific receptor | 2 |
| 34905377 | 10.1021/acs.jmedchem.1c01571 | Melatonin receptor type 1A | 1 |
Data from ChEMBL 36 via Core Engine