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Compound Detail

CHEMBL2324305

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COc1ccc(OC)c(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1

Basic Information

ChEMBL ID CHEMBL2324305
Phase Preclinical
Structure Type MOL
InChI Key ONKFLABGECBELU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.9
MW (Da)
4.64
ALogP
7
HBA
1
HBD
103.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14ClN3O5S
MW 419.85
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.09

Activity Summary

EC50 1 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei brucei
CHEMBL612851
EC50 5.68 5.68 2100.0 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