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Compound Detail

CHEMBL4636544

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

Basic Information

ChEMBL ID CHEMBL4636544
Phase Preclinical
Structure Type MOL
InChI Key LJFMEBYJLVOAPT-DFVUYQKZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

366.8
MW (Da)
3.11
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.68
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 C18H19ClO6
MW 366.80
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.90

Literature References

PubMed DOI Target Context # Activities
32323537 10.1021/acs.jnatprod.9b01167 A549 1
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