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Compound Detail

CHEMBL2021959

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C[C@]12CC[C@@H](O)C[C@@H]1C[C@H](OCc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2021959
Phase Preclinical
Structure Type MOL
InChI Key AFGHGMSGGLOHOQ-UBSBNALLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.6
MW (Da)
5.15
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.77
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H36O3
MW 396.57
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 1.94

Literature References

PubMed DOI Target Context # Activities
22191644 10.1021/jm2014925 Unchecked 6
22191644 10.1021/jm2014925 Xenopus laevis 2

Data from ChEMBL 36 via Core Engine