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Compound Detail

CHEMBL524983

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Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc(Cl)cc1Cl

Basic Information

ChEMBL ID CHEMBL524983
Phase Preclinical
Structure Type MOL
InChI Key CGSSBLUZWNMNFW-HWKANZROSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

298.1
MW (Da)
3.81
ALogP
4
HBA
0
HBD
61.0
PSA (Ų)
0.64
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 C12H9Cl2N3O2
MW 298.13
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.44

Activity Summary

EC50 2 meas. best 6.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Giardia intestinalis
CHEMBL612652
EC50 6.63 6.63 234.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19480409 10.1021/jm900356n Giardia intestinalis 2
19480409 10.1021/jm900356n HeLa 1
19480409 10.1021/jm900356n ADMET 1

Data from ChEMBL 36 via Core Engine