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Compound Detail

CHEMBL4868459

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C/C(=C\CC[C@]1(C)C=Cc2c(cc(C)c(C(=O)O)c2O)O1)CC[C@@H](O)C(C)(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4868459
Phase Preclinical
Structure Type MOL
InChI Key CIWSXQJNMFLDGR-VSPHKNNOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
4.20
ALogP
5
HBA
4
HBD
107.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32O6
MW 404.50
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 3.04

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 1

Data from ChEMBL 36 via Core Engine