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Compound Detail

CHEMBL4874393

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Cc1cc2c(c(O)c1C(=O)O)C=C[C@@](C)(C/C=C/C(C)(O)/C=C/CC(C)(C)O)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4874393
Phase Preclinical
Structure Type MOL
InChI Key AKJMNCDGFCLXKY-CHIXQWMHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
3.98
ALogP
5
HBA
4
HBD
107.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30O6
MW 402.49
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 2.39

Literature References

PubMed DOI Target Context # Activities
34460246 10.1021/acs.jnatprod.1c00454 Unchecked 2
34460246 10.1021/acs.jnatprod.1c00454 Tyrosine-protein phosphatase non-receptor type 1 2

Data from ChEMBL 36 via Core Engine