Compound Detail
CHEMBL1801542
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COC(=O)COc1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL1801542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFPUNJFXZBNQQH-COGSUIBOSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
6.71
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.9
Kd 1 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinol-binding protein 4 CHEMBL3100 | Kd | 6.88 | 6.88 | 131.0 | 1 |
| Retinol-binding protein 4 CHEMBL3100 | EC50 | 5.9 | 5.9 | 1260.0 | 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 His-tagged recombinant human sRBP expressed in Escherichia c... | 21591606 |
| Retinol-binding protein 4 | EC50 | = | 1260.0 | nM | 5.9 | Antagonist activity at His-tagged recombinant human sRBP expressed in Escherichi... | 21591606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21591606 | 10.1021/jm200256g | Retinol-binding protein 4 | 6 |
Data from ChEMBL 36 via Core Engine