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Compound Detail

CHEMBL4593141

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C[C@H](CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c1cc(C(=O)O)c(O)c2O)COC(=O)/C=C/c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4593141
Phase Preclinical
Structure Type MOL
InChI Key AXGDHYMKSMWDCZ-KVQFATBCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

512.6
MW (Da)
5.89
ALogP
7
HBA
5
HBD
144.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H36O8
MW 512.60
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 1.56

Literature References

PubMed DOI Target Context # Activities
26960032 10.1021/acs.jnatprod.5b01128 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine