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Compound Detail

CHEMBL1934584

VISCOSALACTONE B
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CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1934584
Name VISCOSALACTONE B
Phase Preclinical
Structure Type MOL
InChI Key WVMINIQLCDVTLH-IVFYTCICSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

488.6
MW (Da)
2.55
ALogP
7
HBA
3
HBD
116.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H40O7
MW 488.62
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 3.55

Literature References

PubMed DOI Target Context # Activities
22098611 10.1021/np200635r NON-PROTEIN TARGET 2
28923386 10.1016/j.ejmech.2017.09.004 HeLa 2
28923386 10.1016/j.ejmech.2017.09.004 A549 2
28923386 10.1016/j.ejmech.2017.09.004 MCF7 2
28923386 10.1016/j.ejmech.2017.09.004 Vero 2
22098611 10.1021/np200635r B16-F10 1
22098611 10.1021/np200635r SK-MEL-28 1
22098611 10.1021/np200635r ADMET 1
24625088 10.1021/jm401279n NON-PROTEIN TARGET 1
24625088 10.1021/jm401279n Heat shock 70 kDa protein 6 1

Data from ChEMBL 36 via Core Engine