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Compound Detail

CHEMBL429279

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CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL429279
Phase Preclinical
Structure Type MOL
InChI Key NZZHNQMMGLUQOZ-RYWLMXRFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.2
MW (Da)
7.21
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.32
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 C29H49ClO2
MW 465.16
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 2.34

Literature References

PubMed DOI Target Context # Activities
17892941 10.1016/j.bmc.2007.09.012 J774.A1 1

Data from ChEMBL 36 via Core Engine