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Compound Detail

CHEMBL2017872

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CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2017872
Phase Preclinical
Structure Type MOL
InChI Key ZSGJRPBLAQOJIU-VJHVQIKASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

556.7
MW (Da)
4.62
ALogP
8
HBA
2
HBD
135.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H44O8
MW 556.70
Aromatic Rings 0
Heavy Atoms 40
NP-Likeness 2.52

Literature References

PubMed DOI Target Context # Activities
22472043 10.1016/j.bmc.2012.03.001 A549 2

Data from ChEMBL 36 via Core Engine