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Compound Detail

CHEMBL2263102

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O=c1cc(-c2ccccc2Cl)oc2ccccc12

Basic Information

ChEMBL ID CHEMBL2263102
Phase Preclinical
Structure Type MOL
InChI Key BSMFMHNXXKRTHO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

256.7
MW (Da)
4.11
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H9ClO2
MW 256.69
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-010-9412-4 Aldo-keto reductase family 1 member B1 1
31744778 10.1016/j.bmc.2019.115191 MDCK 1
31744778 10.1016/j.bmc.2019.115191 Influenza A virus 1
31744778 10.1016/j.bmc.2019.115191 Neuraminidase 1

Data from ChEMBL 36 via Core Engine