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Compound Detail

CHEMBL3394950

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CCCCCCCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCCC2=C[C@H](C)OC2=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3394950
Phase Preclinical
Structure Type MOL
InChI Key ISWFQLRNKNNEQK-OTUMHNDOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

564.9
MW (Da)
9.12
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.08
QED
2
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C35H64O5
MW 564.89
Aromatic Rings 0
Heavy Atoms 40
NP-Likeness 1.65

Literature References

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

Data from ChEMBL 36 via Core Engine