Compound Detail
CHEMBL3799758
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Basic Information
| ChEMBL ID | CHEMBL3799758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJNKZTHFPGIJNS-DFTQBPQZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
220.2
MW (Da)
-2.01
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lectin CHEMBL3797020 | IC50 | 4.87 | 4.87 | 13600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lectin | IC50 | = | 13600.0 | nM | 4.87 | 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