Compound Detail
CHEMBL4072531
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Basic Information
| ChEMBL ID | CHEMBL4072531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLMIKNQKYHOLTJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
3.05
ALogP
4
HBA
1
HBD
43.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Advanced glycosylation end product-specific receptor CHEMBL2176846 | Kd | 8.7 | 8.7 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Advanced glycosylation end product-specific receptor | Kd | = | 2.0 | nM | 8.7 | Binding affinity to human RAGE cytoplasmic domain by tryptophan fluorescence ass... | 28482155 |
| Advanced glycosylation end product-specific receptor | Kd | = | 2.0 | nM | 8.7 | High-Throughput Screening Assay: Day 1Step 1. Add 50 μl anti-mDial (1:160 diluti... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28482155 | 10.1021/acs.jmedchem.7b00058 | Advanced glycosylation end product-specific receptor | 1 |
Data from ChEMBL 36 via Core Engine