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Compound Detail

CHEMBL4796676

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O=C(Nc1ccccc1)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4796676
Phase Preclinical
Structure Type MOL
InChI Key SSMAUZVLCFTJRR-FRDWDTKVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
-0.76
ALogP
9
HBA
6
HBD
157.9
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27NO9
MW 449.46
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.81

Literature References

PubMed DOI Target Context # Activities
32738350 10.1016/j.ejmech.2020.112508 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine