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Compound Detail

CHEMBL5182633

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Cc1ccccc1COc1ccc(CN2C[C@H](O)C[C@H]2C(=O)O)c(Oc2cc(=O)oc3ccccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5182633
Phase Preclinical
Structure Type MOL
InChI Key SNVGNZIVYXPYCR-QPPBQGQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

501.5
MW (Da)
4.49
ALogP
7
HBA
2
HBD
109.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27NO7
MW 501.54
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
34954618 10.1016/j.bmc.2021.116579 Unchecked 1

Data from ChEMBL 36 via Core Engine