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Compound Detail

CHEMBL1878187

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COC(=O)CC1(C(=O)OC)Nc2cc(Cl)c(Cl)cc2S(=O)(=O)N1O

Basic Information

ChEMBL ID CHEMBL1878187
Phase Preclinical
Structure Type MOL
InChI Key HXJIDAFJSVKUFH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

399.2
MW (Da)
1.23
ALogP
8
HBA
2
HBD
122.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12Cl2N2O7S
MW 399.21
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.06

Activity Summary

EC50 1 meas. best 5.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endoribonuclease toxin MazF
CHEMBL1795096
EC50 5.94 5.94 1140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Endoribonuclease toxin MazF EC50 = 1140.0 nM 5.94 PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... -

Literature References

PubMed DOI Target Context # Activities
28011425 10.1016/j.ejmech.2016.12.029 Indoleamine 2,3-dioxygenase 1 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

Data from ChEMBL 36 via Core Engine