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Compound Detail

CHEMBL1506226

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Oc1nc(S)ncc1Oc1ccc(Cl)cc1Cl

Basic Information

ChEMBL ID CHEMBL1506226
Phase Preclinical
Structure Type MOL
InChI Key GZOUVEFFNQFCEW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

289.1
MW (Da)
3.57
ALogP
5
HBA
2
HBD
55.2
PSA (Ų)
0.66
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 C10H6Cl2N2O2S
MW 289.14
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
21459001 10.1016/j.bmc.2011.03.012 Unchecked 1
- 10.6019/CHEMBL4296182 Escherichia coli 1
- 10.6019/CHEMBL4296182 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4296182 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4296182 Cryptococcus neoformans 1
- 10.6019/CHEMBL4296182 Acinetobacter baumannii 1
- 10.6019/CHEMBL4296182 Candida albicans 1
- 10.6019/CHEMBL4296182 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine