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Compound Detail

CHEMBL4750754

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C[C@H](CO)c1cc2c(cc1O)[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4750754
Phase Preclinical
Structure Type MOL
InChI Key PIDQFLHDKWBVMF-OBGLBDJTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.58
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H28O4
MW 332.44
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 2.57

Literature References

PubMed DOI Target Context # Activities
32786878 10.1021/acs.jnatprod.0c00291 Zika virus 1

Data from ChEMBL 36 via Core Engine