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Compound Detail

CHEMBL4859996

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COc1c(O)c(OC)c2c3c1CCN(C(C)=O)[C@@H]3[C@@H](O)c1ccccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4859996
Phase Preclinical
Structure Type MOL
InChI Key RBEOBPBFWUZPSI-IRXDYDNUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
2.57
ALogP
5
HBA
2
HBD
79.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO5
MW 355.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.39

Literature References

PubMed DOI Target Context # Activities
33822610 10.1021/acs.jnatprod.1c00055 BV-2 1

Data from ChEMBL 36 via Core Engine