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Compound Detail

CHEMBL4436635

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O=C(CCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4436635
Phase Preclinical
Structure Type MOL
InChI Key BPURCUYJLBXBHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

288.7
MW (Da)
3.88
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13ClO3
MW 288.73
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
31000155 10.1016/j.bmcl.2019.04.020 Trypanosoma cruzi 1
31000155 10.1016/j.bmcl.2019.04.020 L929 1
31000155 10.1016/j.bmcl.2019.04.020 Unchecked 1

Data from ChEMBL 36 via Core Engine