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Compound Detail

CHEMBL1934466

WITHALONGOLIDE N
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CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC(=O)C5=C(CC[C@@H](O)C5)[C@H]4CC[C@]23C)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1934466
Name WITHALONGOLIDE N
Phase Preclinical
Structure Type MOL
InChI Key GCUKFNAJZUUBSQ-HCGFFNIQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

604.7
MW (Da)
1.94
ALogP
10
HBA
5
HBD
163.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C33H48O10
MW 604.74
Aromatic Rings 0
Heavy Atoms 43
NP-Likeness 2.87

Literature References

PubMed DOI Target Context # Activities
22098611 10.1021/np200635r NON-PROTEIN TARGET 2
22098611 10.1021/np200635r B16-F10 1
22098611 10.1021/np200635r SK-MEL-28 1
22098611 10.1021/np200635r ADMET 1

Data from ChEMBL 36 via Core Engine