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Compound Detail

CHEMBL135914

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CC(=O)OC[C@]12CCC(C)(C)CC1C1=CC(=O)[C@@H]3[C@@]4(C)C=CC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL135914
Phase Preclinical
Structure Type MOL
InChI Key QXNWMGKAXHMBLY-CQELSBRBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

494.7
MW (Da)
6.88
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H46O4
MW 494.72
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 3.19

Literature References

PubMed DOI Target Context # Activities
11063620 10.1021/jm0002230 Mus musculus 1

Data from ChEMBL 36 via Core Engine