Compound Detail
CHEMBL5393907
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COc1ccc(CNCC(=O)N[C@H]2CC[C@@H](c3nc4cc(OCCOCCOCCOCCN)ccc4[nH]3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL5393907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEQTXZGSORDUSS-PLQXJYEYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
583.7
MW (Da)
2.89
ALogP
9
HBA
4
HBD
142.0
PSA (Ų)
0.16
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-induced degradation protein 4 homolog CHEMBL5169174 | Kd | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-induced degradation protein 4 homolog | Kd | = | 300.0 | nM | 6.52 | Binding affinity to recombinant GID4 (unknown origin) assessed as dissociation c... | 38516600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38516600 | 10.1039/d3md00633f | Glucose-induced degradation protein 4 homolog | 2 |
Data from ChEMBL 36 via Core Engine