Compound Detail
CHEMBL5289756
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C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)[C@H](N)CC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL5289756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUUCRVJEHQBAKP-GCHQISOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
491.7
MW (Da)
4.86
ALogP
5
HBA
3
HBD
126.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of Sialyltransferase (unknown origin) | 31830636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31830636 | 10.1016/j.ejmech.2019.111909 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine