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Compound Detail

CHEMBL4205232

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CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4205232
Phase Preclinical
Structure Type MOL
InChI Key NHVGKAGJOWJYCD-WOWLJWBSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

700.0
MW (Da)
5.74
ALogP
9
HBA
7
HBD
168.9
PSA (Ų)
0.04
QED
3
Ro5 Violations
31
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C39H73NO9
MW 700.01
Aromatic Rings 0
Heavy Atoms 49
NP-Likeness 1.56

Literature References

PubMed DOI Target Context # Activities
28240909 10.1021/acs.jnatprod.7b00006 Unchecked 1
28240909 10.1021/acs.jnatprod.7b00006 HeLa 1

Data from ChEMBL 36 via Core Engine