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Compound Detail

CHEMBL4746623

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CCCN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4746623
Phase Preclinical
Structure Type MOL
InChI Key AATKEMTZOIYBEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
4.69
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.66
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 C22H19NO4
MW 361.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.63

Literature References

PubMed DOI Target Context # Activities
33479636 10.1039/c9md00494g A549 1
33479636 10.1039/c9md00494g NCI-H1975 1

Data from ChEMBL 36 via Core Engine