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Compound Detail

CHEMBL3125600

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C[C@@H]1CC[C@H]2[C@@H](C)C(CCCO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3125600
Phase Preclinical
Structure Type MOL
InChI Key BAJSYLWSYBXRPS-ZUHCMFGLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
3.01
ALogP
5
HBA
1
HBD
57.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H30O5
MW 326.43
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 3.50

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11784134 10.1021/jm0100234 Plasmodium falciparum 1
24561670 10.1016/j.ejmech.2014.01.043 NON-PROTEIN TARGET 1
24561670 10.1016/j.ejmech.2014.01.043 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine