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Compound Detail

CHEMBL5176247

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COc1cccc(C(=O)NNc2c(Br)cccc2Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5176247
Phase Preclinical
Structure Type MOL
InChI Key PEXOJHBOCAMWDT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

400.1
MW (Da)
3.98
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12Br2N2O2
MW 400.07
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
35212527 10.1021/acs.jmedchem.1c01257 Influenza A virus 1
35212527 10.1021/acs.jmedchem.1c01257 MDCK 1

Data from ChEMBL 36 via Core Engine