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Compound Detail

CHEMBL480111

CUCURBITACIN L
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CC(C)(O)CCC(=O)[C@@](C)(O)C1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4C(C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

Basic Information

ChEMBL ID CHEMBL480111
Name CUCURBITACIN L
Phase Preclinical
Structure Type MOL
InChI Key PIGAXYFCLPQWOD-CBJCAJNSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

516.7
MW (Da)
3.84
ALogP
7
HBA
4
HBD
132.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H44O7
MW 516.68
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 3.02

Literature References

PubMed DOI Target Context # Activities
7852999 10.1021/np50113a004 Unchecked 3
7852999 10.1021/np50113a004 JY 1
7852999 10.1021/np50113a004 Integrin alpha-L 1

Data from ChEMBL 36 via Core Engine