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Compound Detail

CHEMBL5195121

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COc1ccc(COc2ccc(CN3C[C@H](O)C[C@H]3C(=O)O)c(Oc3cc(=O)oc4c3ccc3ccccc34)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5195121
Phase Preclinical
Structure Type MOL
InChI Key YLPXVSUNSWWAAF-LXFBAYGMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

567.6
MW (Da)
5.35
ALogP
8
HBA
2
HBD
118.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H29NO8
MW 567.59
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -0.01

Literature References

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

Data from ChEMBL 36 via Core Engine