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Compound Detail

CHEMBL4634948

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C[C@@H]1C/C=C/CCCC[C@@H](O)CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4634948
Phase Preclinical
Structure Type MOL
InChI Key HFWXCJKSHYWBSP-UXOHQCDBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

396.9
MW (Da)
3.68
ALogP
6
HBA
3
HBD
104.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H25ClO6
MW 396.87
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 1.86

Literature References

PubMed DOI Target Context # Activities
32323537 10.1021/acs.jnatprod.9b01167 A549 2
32323537 10.1021/acs.jnatprod.9b01167 769-P 1
32323537 10.1021/acs.jnatprod.9b01167 HCT-116 1
32323537 10.1021/acs.jnatprod.9b01167 T-cell 1
32323537 10.1021/acs.jnatprod.9b01167 B-cell line 1

Data from ChEMBL 36 via Core Engine