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Compound Detail

CHEMBL4544753

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CC(=O)O[C@@H]1CCC(=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 CHEMBL4544753
Phase Preclinical
Structure Type MOL
InChI Key KMNSIAPKJGLEHX-KXVBPSPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
3.67
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28O5
MW 348.44
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 2.58

Literature References

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

Data from ChEMBL 36 via Core Engine