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Compound Detail

CHEMBL2312005

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O=C1c2ccccc2-c2ncc(Br)c3cccc1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2312005
Phase Preclinical
Structure Type MOL
InChI Key IRTYNWXLGVXYTJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

310.1
MW (Da)
4.21
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H8BrNO
MW 310.15
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness 0.07

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23164712 10.1016/j.bmcl.2012.10.092 Unchecked 1
23164712 10.1016/j.bmcl.2012.10.092 MRC5 1
23164712 10.1016/j.bmcl.2012.10.092 Plasmodium falciparum 1
23454511 10.1016/j.ejmech.2013.01.049 J82 1
23454511 10.1016/j.ejmech.2013.01.049 SK-MES-1 1
23454511 10.1016/j.ejmech.2013.01.049 AGS 1
23454511 10.1016/j.ejmech.2013.01.049 MRC5 1

Data from ChEMBL 36 via Core Engine