Compound Detail
CHEMBL3797996
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CO[C@H]1O[C@H]([C@@H](O)CNC(=O)/C=C/c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3797996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHBAGZNHVWWYFA-JHGCLFCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
-1.37
ALogP
7
HBA
5
HBD
128.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lectin CHEMBL3797020 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lectin | IC50 | = | 64000.0 | nM | 4.19 | Displacement of N-(fluorescein-5-yl)-N'-(alpha-D-mannopyranosyloxyethyl)-thiocar... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00557D | Lectin | 1 |
Data from ChEMBL 36 via Core Engine