Compound Detail
CHEMBL4292528
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O=C(Cn1cc(-c2ccc(C(=O)O)cc2)nn1)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4292528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSWCXOCNKMYFAQ-NYMASUJMSA-N |
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
-2.43
ALogP
11
HBA
7
HBD
224.6
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30457869 | 10.1021/acs.jmedchem.8b01411 | Sialidase-1 | 1 |
| 30457869 | 10.1021/acs.jmedchem.8b01411 | Sialidase-2 | 1 |
| 30457869 | 10.1021/acs.jmedchem.8b01411 | Sialidase-3 | 1 |
| 30457869 | 10.1021/acs.jmedchem.8b01411 | Sialidase-4 | 1 |
Data from ChEMBL 36 via Core Engine