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Compound Detail

CHEMBL4293780

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O=C(Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1)c1cccc(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4293780
Phase Preclinical
Structure Type MOL
InChI Key JXAKOAQJURHBQY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

475.8
MW (Da)
7.12
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12BrClN2OS2
MW 475.82
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.19

Literature References

PubMed DOI Target Context # Activities
30392371 10.1021/acs.jmedchem.8b01293 GroEL/GroES 2
30392371 10.1021/acs.jmedchem.8b01293 Unchecked 2
30392371 10.1021/acs.jmedchem.8b01293 Staphylococcus aureus 2
30392371 10.1021/acs.jmedchem.8b01293 Thiosulfate sulfurtransferase 1
30392371 10.1021/acs.jmedchem.8b01293 Enterococcus faecium 1
30392371 10.1021/acs.jmedchem.8b01293 Klebsiella pneumoniae 1
30392371 10.1021/acs.jmedchem.8b01293 Acinetobacter baumannii 1
30392371 10.1021/acs.jmedchem.8b01293 Pseudomonas aeruginosa 1
30392371 10.1021/acs.jmedchem.8b01293 Enterobacter cloacae 1
30392371 10.1021/acs.jmedchem.8b01293 HSP60/HSP10 1
30392371 10.1021/acs.jmedchem.8b01293 HEK293 1

Data from ChEMBL 36 via Core Engine