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Compound Detail

CHEMBL2324303

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Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL2324303
Phase Preclinical
Structure Type MOL
InChI Key SHQLXDOWLPFZLT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.8
MW (Da)
4.93
ALogP
5
HBA
1
HBD
85.1
PSA (Ų)
0.52
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 C17H12ClN3O3S
MW 373.82
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.40

Activity Summary

EC50 1 meas. best 6.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei brucei
CHEMBL612851
EC50 6.27 6.27 540.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23484493 10.1021/jm301687p Trypanosoma brucei brucei 1

Data from ChEMBL 36 via Core Engine