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Compound Detail

CHEMBL1172482

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O=C1/C(=C/c2ccccc2Cl)Oc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1172482
Phase Preclinical
Structure Type MOL
InChI Key KUORHNWHYRSQCI-ZROIWOOFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

256.7
MW (Da)
3.96
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9ClO2
MW 256.69
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
20392544 10.1016/j.ejmech.2010.03.023 NAD(P)H dehydrogenase [quinone] 1 2
20392544 10.1016/j.ejmech.2010.03.023 ADMET 2
28646757 10.1016/j.ejmech.2017.06.018 HT-29 2
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