Compound Detail
CHEMBL1802454
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Basic Information
| ChEMBL ID | CHEMBL1802454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHPKRVYZMVFULC-SFZCRTJJSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.6
MW (Da)
5.38
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.88
EC50 1 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinol-binding protein 4 CHEMBL3100 | Kd | 6.88 | 6.76 | 131.0 | 2 |
| Retinol-binding protein 4 CHEMBL3100 | EC50 | 6.81 | 6.81 | 154.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinol-binding protein 4 | Kd | = | 131.0 | nM | 6.88 | Binding affinity to human recombinant His-MBP-tagged RBP4 (19 to 201 residues) e... | 38525852 |
| Retinol-binding protein 4 | EC50 | = | 154.0 | nM | 6.81 | Antagonist activity at His-tagged recombinant human sRBP expressed in Escherichi... | 21591606 |
| Retinol-binding protein 4 | Kd | = | 227.0 | nM | 6.64 | Binding affinity to His-tagged recombinant human sRBP expressed in Escherichia c... | 21591606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21591606 | 10.1021/jm200256g | Retinol-binding protein 4 | 5 |
| 38525852 | 10.1021/acs.jmedchem.4c00086 | Retinol-binding protein 4 | 1 |
Data from ChEMBL 36 via Core Engine