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Compound Detail

CHEMBL4210105

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C/C1=C/[C@]23O[C@H]2[C@H](C)CC3C(=O)[C@]2(C)C(=O)CC(C)(C)[C@H]2CC1=O

Basic Information

ChEMBL ID CHEMBL4210105
Phase Preclinical
Structure Type MOL
InChI Key AHQGAOBRELESIP-DCCFFACZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
2.89
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H26O4
MW 330.42
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 2.83

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