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Compound Detail

CHEMBL239216

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Cc1csc(NC(=O)c2ccc(C(=O)Nc3nc(C)cs3)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL239216
Phase Preclinical
Structure Type MOL
InChI Key SHXZAHPYXSXERG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
3.72
ALogP
6
HBA
2
HBD
84.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N4O2S2
MW 358.45
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
17719791 10.1016/j.bmc.2007.08.003 Unchecked 1
- 10.6019/CHEMBL4296182 Escherichia coli 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 Acinetobacter baumannii 1
- 10.6019/CHEMBL4296182 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine