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Compound Detail

CHEMBL484847

HEXANORCUCURBITACIN F
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CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL484847
Name HEXANORCUCURBITACIN F
Phase Preclinical
Structure Type MOL
InChI Key LUCBGVQZYRKKHI-KFOIKILMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

404.6
MW (Da)
2.66
ALogP
5
HBA
3
HBD
94.8
PSA (Ų)
0.58
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 C24H36O5
MW 404.55
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 3.13

Literature References

PubMed DOI Target Context # Activities
22472043 10.1016/j.bmc.2012.03.001 A549 2
6549470 10.1021/np50036a013 KB 1
6549470 10.1021/np50036a013 P388 1

Data from ChEMBL 36 via Core Engine