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Compound Detail

CHEMBL4169157

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Nc1cccc2cc(Br)c(=O)[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169157
Phase Preclinical
Structure Type MOL
InChI Key ZOVAFCCYNTXJJX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

239.1
MW (Da)
1.87
ALogP
2
HBA
2
HBD
58.9
PSA (Ų)
0.69
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 C9H7BrN2O
MW 239.07
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
29885575 10.1016/j.ejmech.2018.06.001 Leishmania infantum 1
29885575 10.1016/j.ejmech.2018.06.001 HepG2 1
29885575 10.1016/j.ejmech.2018.06.001 Trypanosoma brucei brucei 1

Data from ChEMBL 36 via Core Engine