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Compound Detail

CHEMBL2431884

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C/C(=C\CC[C@]1(C)OC2=C(C[C@@H]1O)C(=O)CC[C@H]2O)CC/C=C(\C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2431884
Phase Preclinical
Structure Type MOL
InChI Key IJYNRXGMDZDCJS-IBHBTLNGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
3.04
ALogP
5
HBA
3
HBD
104.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H30O6
MW 378.47
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 3.27

Literature References

PubMed DOI Target Context # Activities
24128115 10.1021/np4005757 HL-60 1
24128115 10.1021/np4005757 A549 1
24128115 10.1021/np4005757 Unchecked 1

Data from ChEMBL 36 via Core Engine