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Compound Detail

CHEMBL4869645

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C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)C4=CC[C@]3(C)[C@H]1[C@@H]2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4869645
Phase Preclinical
Structure Type MOL
InChI Key QCVKYDNFSXDPSW-OEDDFHIWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.6
MW (Da)
5.71
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H42O3
MW 414.63
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 3.54

Literature References

PubMed DOI Target Context # Activities
33158578 10.1016/j.ejmech.2020.112982 Unchecked 1

Data from ChEMBL 36 via Core Engine