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Compound Detail

CHEMBL3290499

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CC1=CC[C@@H]2[C@H](C=C(C)[C@H]3[C@]4(C)OCC[C@@H](C)[C@H]4O[C@H](/C=C/C=C/C(=O)O)[C@@H](O)[C@@]23O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3290499
Phase Preclinical
Structure Type MOL
InChI Key ROAXMKARTPGXAB-ITGIICLMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

444.6
MW (Da)
3.41
ALogP
5
HBA
3
HBD
96.2
PSA (Ų)
0.35
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 C26H36O6
MW 444.57
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 3.09

Literature References

PubMed DOI Target Context # Activities
24926891 10.1021/np500143k Unchecked 2
24926891 10.1021/np500143k DNA polymerase beta 2
24926891 10.1021/np500143k HCT-116 1

Data from ChEMBL 36 via Core Engine