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Compound Detail

CHEMBL5204250

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CCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H]([C@@H](C)C[C@]12C)[C@H]1CCC(=O)C=C1C[C@H]3C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5204250
Phase Preclinical
Structure Type MOL
InChI Key GMANDVLOLFKCIY-SNQGMWQWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.7
MW (Da)
7.28
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H46O3
MW 442.68
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 1.68

Literature References

PubMed DOI Target Context # Activities
35063736 10.1016/j.ejmech.2022.114119 Androgen receptor 1

Data from ChEMBL 36 via Core Engine