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Compound Detail

CHEMBL2017893

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

Basic Information

ChEMBL ID CHEMBL2017893
Phase Preclinical
Structure Type MOL
InChI Key UOYMHFQZQYMMCM-CZRHUKMMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

562.7
MW (Da)
3.08
ALogP
8
HBA
5
HBD
144.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H50O8
MW 562.74
Aromatic Rings 0
Heavy Atoms 40
NP-Likeness 3.12

Literature References

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

Data from ChEMBL 36 via Core Engine