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Compound Detail

CHEMBL2324297

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O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1Cl

Basic Information

ChEMBL ID CHEMBL2324297
Phase Preclinical
Structure Type MOL
InChI Key BDBBRIRVGCIWPY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.2
MW (Da)
5.96
ALogP
5
HBA
1
HBD
98.3
PSA (Ų)
0.32
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 C20H11Cl2N3O4
MW 428.23
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -2.16

Activity Summary

EC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei brucei
CHEMBL612851
EC50 5.55 5.55 2800.0 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