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Compound Detail

CHEMBL514442

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

Basic Information

ChEMBL ID CHEMBL514442
Phase Preclinical
Structure Type MOL
InChI Key MYVWXXMGILJAQC-ZHGVIFCFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.7
MW (Da)
7.43
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H50O2
MW 442.73
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 3.04

Literature References

PubMed DOI Target Context # Activities
14510595 10.1021/np0301543 Aldo-keto reductase family 1 member B1 2

Data from ChEMBL 36 via Core Engine