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Compound Detail

CHEMBL2017897

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CC(=O)O[C@H]1C[C@@H]2C(=CC(=O)[C@@H]3[C@@]2(C)C(=O)C[C@]2(C)[C@@H]([C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O)[C@H](OC(C)=O)C[C@@]32C)C(C)(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2017897
Phase Preclinical
Structure Type MOL
InChI Key MJDNQJKCQINSNO-CYRNSTTNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

658.8
MW (Da)
4.04
ALogP
11
HBA
1
HBD
167.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H50O11
MW 658.79
Aromatic Rings 0
Heavy Atoms 47
NP-Likeness 2.33

Literature References

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

Data from ChEMBL 36 via Core Engine