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Compound Detail

CHEMBL1762457

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O=C1Nc2ccc(Br)cc2/C1=N/NC(=S)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1762457
Phase Preclinical
Structure Type MOL
InChI Key BAWUQKOBWWQNTC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

375.2
MW (Da)
3.09
ALogP
3
HBA
3
HBD
65.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11BrN4OS
MW 375.25
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
26185006 10.1016/j.ejmech.2015.06.047 Staphylococcus aureus 2
21356589 10.1016/j.bmcl.2011.02.037 Human alphaherpesvirus 1 1
21356589 10.1016/j.bmcl.2011.02.037 Human alphaherpesvirus 2 1
21356589 10.1016/j.bmcl.2011.02.037 RD 1
26185006 10.1016/j.ejmech.2015.06.047 Bacillus spizizenii 1

Data from ChEMBL 36 via Core Engine