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Compound Detail

CHEMBL4861321

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COc1c2c3c(c(OC)c1OC)-c1ccccc1[C@H](O)[C@H]3N(C(C)=O)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4861321
Phase Preclinical
Structure Type MOL
InChI Key LKNPFPUXQWEDND-ROUUACIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
2.87
ALogP
5
HBA
1
HBD
68.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23NO5
MW 369.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 1.15

Literature References

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

Data from ChEMBL 36 via Core Engine