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Compound Detail

CHEMBL3394954

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CCCCCCCC(O)CCC[C@@H](O)[C@@H]1CC[C@@H]([C@@H](O)CC[C@@H](O)[C@@H]2CC[C@@H](CCCCCCCCC3=C[C@H](C)OC3=O)O2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3394954
Phase Preclinical
Structure Type MOL
InChI Key RWQXMMPWGQDJFK-QKUPUKHSSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

638.9
MW (Da)
6.83
ALogP
8
HBA
4
HBD
125.7
PSA (Ų)
0.06
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C37H66O8
MW 638.93
Aromatic Rings 0
Heavy Atoms 45
NP-Likeness 1.96

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25582602 10.1016/j.bmcl.2014.12.088 A549 1

Data from ChEMBL 36 via Core Engine