Compound Detail
CHEMBL5574034
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CC(C)(C)CC[C@H](NC(=O)c1ccc(Oc2cccc(OCCOCCOCCOCCOCCOCCOCCNC(=O)CCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c2)nc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5574034 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBUYUWBEGSYTEC-FWIWLVIWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
892.1
MW (Da)
3.81
ALogP
14
HBA
5
HBD
223.4
PSA (Ų)
0.05
QED
2
Ro5 Violations
33
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sortilin CHEMBL3091 | Kd | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sortilin | Kd | = | 1.0 | nM | 9.0 | Binding affinity to 6-His tagged sortilin (unknown origin) assessed as equilibri... | 38894914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38894914 | 10.1021/acsmedchemlett.4c00180 | Sortilin | 1 |
Data from ChEMBL 36 via Core Engine