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Compound Detail

CHEMBL1440893

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c1cncc(-c2nc3ccccc3s2)c1

Basic Information

ChEMBL ID CHEMBL1440893
Phase Preclinical
Structure Type MOL
InChI Key MUDNLVWBCWZIMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

212.3
MW (Da)
3.36
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.62
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 C12H8N2S
MW 212.28
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness -2.31

Literature References

PubMed DOI Target Context # Activities
21684753 10.1016/j.bmc.2011.05.052 Unchecked 2
21684753 10.1016/j.bmc.2011.05.052 Beta-glucuronidase 1
- 10.6019/CHEMBL4296182 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4296182 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4296182 Candida albicans 1
- 10.6019/CHEMBL4296182 Cryptococcus neoformans 1
- 10.6019/CHEMBL4296182 Staphylococcus aureus 1
- 10.6019/CHEMBL4296182 Escherichia coli 1
- 10.6019/CHEMBL4296182 Acinetobacter baumannii 1
32739649 10.1016/j.ejmech.2020.112556 HeLa 1

Data from ChEMBL 36 via Core Engine