Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL190311

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(OCC(NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL190311
Phase Preclinical
Structure Type MOL
InChI Key HJZYNVUFUNCDMI-NPKQBVGDSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
1.01
ALogP
6
HBA
4
HBD
90.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23FN2O4
MW 374.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.15

Activity Summary

IC50 1 meas. best 4.22
Ki 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-mannosidase
CHEMBL4193
 Ki 7.72 7.72 19.0 1
Alpha-mannosidase
CHEMBL4193
 IC50 4.22 4.22 60000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha-mannosidase Ki = 19.0 nM 7.72 Binding affinity against alpha-Mannosidase isolated from Jack bean 15974577
Alpha-mannosidase IC50 = 60000.0 nM 4.22 Concentration of compound inhibiting alpha-Mannosidase isolated from Jack bean 15974577

Literature References

PubMed DOI Target Context # Activities
15974577 10.1021/jm0409019 NON-PROTEIN TARGET 18
15974577 10.1021/jm0409019 Alpha-mannosidase 5

Data from ChEMBL 36 via Core Engine