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Compound Detail

CHEMBL1079490

CHISOCHETON F
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CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@@H]3COC(=O)C3)[C@@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1079490
Name CHISOCHETON F
Phase Preclinical
Structure Type MOL
InChI Key LXNMRBHGHQWYSQ-ZBHNOWDBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
5.04
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H38O5
MW 454.61
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 3.49

Literature References

PubMed DOI Target Context # Activities
19908853 10.1021/np900640u NON-PROTEIN TARGET 2
19908853 10.1021/np900640u SW-620 1
19908853 10.1021/np900640u BT-474 1
19908853 10.1021/np900640u HepG2 1

Data from ChEMBL 36 via Core Engine