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Compound Detail

CHEMBL5201836

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COc1ccc(COc2ccc(CN3C[C@H](O)C[C@H]3C(=O)O)c(Oc3cc(=O)oc4ccccc34)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5201836
Phase Preclinical
Structure Type MOL
InChI Key XKYOFYDWPPAUKG-YKSBVNFPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

517.5
MW (Da)
4.19
ALogP
8
HBA
2
HBD
118.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27NO8
MW 517.53
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.14

Literature References

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

Data from ChEMBL 36 via Core Engine