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Compound Detail

CHEMBL458815

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CC1(C)Oc2c(O)cc([C@@H]3CC(=O)c4ccc(O)cc4O3)cc2C(O)C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL458815
Phase Preclinical
Structure Type MOL
InChI Key CKBIVADBUPGTKI-DMKPSLHHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
2.37
ALogP
7
HBA
4
HBD
116.5
PSA (Ų)
0.61
QED
0
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 C20H20O7
MW 372.37
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 2.33

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