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Compound Detail

CHEMBL4644484

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

Basic Information

ChEMBL ID CHEMBL4644484
Phase Preclinical
Structure Type MOL
InChI Key UJHRWDQPNFJVRT-RNCFNFMXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

384.8
MW (Da)
2.30
ALogP
7
HBA
3
HBD
121.1
PSA (Ų)
0.59
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 C18H21ClO7
MW 384.81
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 1.74

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