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Compound Detail

CHEMBL4587299

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O=C(CCCCCn1cc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)nn1)NOCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4587299
Phase Preclinical
Structure Type MOL
InChI Key QDVPXAYUKOMLBY-ICGSVKGVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.5
MW (Da)
-0.60
ALogP
11
HBA
5
HBD
168.4
PSA (Ų)
0.18
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H32N4O8
MW 480.52
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.05

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
31449405 10.1021/acs.jmedchem.9b00481 Fucose-binding lectin PA-IIL 1

Data from ChEMBL 36 via Core Engine