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Compound Detail

CHEMBL22732

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C=C1CCC2[C@@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CCc1ccc2c(c1)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL22732
Phase Preclinical
Structure Type MOL
InChI Key GTWZFPYKXYRJIW-AIBUOILYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

484.6
MW (Da)
6.74
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.30
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 C32H36O4
MW 484.64
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 1.86

Literature References

PubMed DOI Target Context # Activities
11312925 10.1021/jm001048q P388 1
11312925 10.1021/jm001048q A549 1
11312925 10.1021/jm001048q HT-29 1
11312925 10.1021/jm001048q SK-MEL-28 1

Data from ChEMBL 36 via Core Engine