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Compound Detail

CHEMBL453534

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C=C1CC[C@]23O[C@@]2(C)CCC2=C(C)C(=O)O[C@@H]2[C@@H]13
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL453534
Phase Preclinical
Structure Type MOL
InChI Key FPCDZVJZOZOVPM-PAPYEOQZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
2.52
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18O3
MW 246.31
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 3.62

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9917276 10.1021/np980092u Unchecked 1
9917276 10.1021/np980092u A549 1

Data from ChEMBL 36 via Core Engine