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Compound Detail

CHEMBL4066092

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CCCCCCCCCCCCOC(=O)/C(CCC=C(C)C)=C1\[C@@H](OC(C)=O)C[C@@]2(C)[C@H]1C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4066092
Phase Preclinical
Structure Type MOL
InChI Key SXHVFPYDXMFHLO-SVGSUYOISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

685.0
MW (Da)
10.05
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.07
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H72O6
MW 685.04
Aromatic Rings 0
Heavy Atoms 49
NP-Likeness 2.25

Literature References

PubMed DOI Target Context # Activities
28012840 10.1016/j.bmcl.2016.11.077 Plasmodium falciparum 2
28012840 10.1016/j.bmcl.2016.11.077 CHO 1
28012840 10.1016/j.bmcl.2016.11.077 Unchecked 1

Data from ChEMBL 36 via Core Engine