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Compound Detail

CHEMBL4204661

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C/C1=C/C2=C(C[C@@H](C)C2)C(=O)[C@@]2(C)C(=O)CC(C)(C)[C@@H]2CC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4204661
Phase Preclinical
Structure Type MOL
InChI Key CMNBPTKCGIYDOO-WVSAWVGPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
3.82
ALogP
3
HBA
0
HBD
51.2
PSA (Ų)
0.64
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 C20H26O3
MW 314.43
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 2.10

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