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Compound Detail

CHEMBL383543

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COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL383543
Phase Preclinical
Structure Type MOL
InChI Key VOASREXNXKOKBP-HWJSKKJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

623.5
MW (Da)
1.75
ALogP
11
HBA
5
HBD
188.9
PSA (Ų)
0.26
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28F3NO11
MW 623.53
Aromatic Rings 2
Heavy Atoms 44
NP-Likeness 1.35

Literature References

PubMed DOI Target Context # Activities
16509594 10.1021/jm050916m K562 3

Data from ChEMBL 36 via Core Engine