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Compound Detail

CHEMBL4846799

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COc1c(O)cc2c3c1-c1ccccc1[C@H](O)[C@H]3N(C(C)=O)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4846799
Phase Preclinical
Structure Type MOL
InChI Key XUXHYUKZUIBJPN-ROUUACIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
2.56
ALogP
4
HBA
2
HBD
70.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO4
MW 325.36
Aromatic Rings 2
Heavy Atoms 24
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