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Compound Detail

CHEMBL522246

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COc1cccc(/C=C/c2ncc([N+](=O)[O-])n2C)c1

Basic Information

ChEMBL ID CHEMBL522246
Phase Preclinical
Structure Type MOL
InChI Key AHFRJJJSASSBCT-VOTSOKGWSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
2.51
ALogP
5
HBA
0
HBD
70.2
PSA (Ų)
0.62
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 C13H13N3O3
MW 259.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.90

Activity Summary

EC50 2 meas. best 6.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Giardia intestinalis
CHEMBL612652
EC50 6.81 6.81 154.9 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