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Compound Detail

CHEMBL458360

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CC1(C)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c3c(c2O1)OC(C)(C)C=C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL458360
Phase Preclinical
Structure Type MOL
InChI Key BDKFYPKEQKRWHD-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
5.17
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.66
QED
1
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 C25H24O6
MW 420.46
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 2.22

Literature References

PubMed DOI Target Context # Activities
19008110 10.1016/j.bmc.2008.10.012 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine