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Compound Detail

CHEMBL4105675

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N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2ccc3ccccc3c2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4105675
Phase Preclinical
Structure Type MOL
InChI Key VYDJQKWZTZXAMD-DUQPFJRNSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
0.04
ALogP
8
HBA
4
HBD
126.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N4O4
MW 356.38
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.10

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
28925695 10.1021/acs.jmedchem.7b01056 Glycogen phosphorylase, muscle form 1

Data from ChEMBL 36 via Core Engine