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Compound Detail

CHEMBL4579804

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CC(=O)O[C@@H]1CC[C@@H](OC(C)=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4579804
Phase Preclinical
Structure Type MOL
InChI Key HACXDRXIMMUCNG-HAYCEANTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
4.03
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H32O6
MW 392.49
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 2.24

Literature References

PubMed DOI Target Context # Activities
30633861 10.1021/acs.jmedchem.8b01742 HCT-116 2

Data from ChEMBL 36 via Core Engine