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Compound Detail

CHEMBL4060330

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O=c1[nH]c(-c2cccc(Br)c2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4060330
Phase Preclinical
Structure Type MOL
InChI Key INWHPBGNSUYRME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

301.1
MW (Da)
3.35
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.75
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 C14H9BrN2O
MW 301.14
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
28579123 10.1016/j.bmcl.2017.05.064 Escherichia coli 1
28579123 10.1016/j.bmcl.2017.05.064 Unchecked 1
28579123 10.1016/j.bmcl.2017.05.064 Staphylococcus aureus 1
37859724 10.1039/d3md00243h Leishmania infantum 1
37859724 10.1039/d3md00243h Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine