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Compound Detail

CHEMBL4206244

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CC(=O)O[C@H]1/C2=C/[C@@H](C)C(=O)C[C@H]3[C@@H](/C=C(\C)C(=O)[C@@]2(O)C[C@H]1C)C3(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4206244
Phase Preclinical
Structure Type MOL
InChI Key NRGHNOFBZBBSBL-KTSPZSLISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
3.01
ALogP
5
HBA
1
HBD
80.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H30O5
MW 374.48
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 2.51

Literature References

PubMed DOI Target Context # Activities
30106289 10.1021/acs.jnatprod.7b01036 RKO 1
30106289 10.1021/acs.jnatprod.7b01036 LoVo 1

Data from ChEMBL 36 via Core Engine