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Compound Detail

CHEMBL227855

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NC[C@H]1CC[C@]2(CC1)OO[C@]1(O2)C2CC3CC(C2)CC1C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227855
Phase Preclinical
Structure Type MOL
InChI Key WAFZISBSKUIZLT-FAWQMPIZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
2.96
ALogP
4
HBA
1
HBD
53.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H27NO3
MW 293.41
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 1.37

Literature References

PubMed DOI Target Context # Activities
33508479 10.1016/j.ejmech.2021.113193 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine