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Compound Detail

CHEMBL496831

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Cc1ccc(C(O)C(O)c2ncc([N+](=O)[O-])n2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496831
Phase Preclinical
Structure Type MOL
InChI Key JIHZYWPNLZDHJY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
1.40
ALogP
6
HBA
2
HBD
101.4
PSA (Ų)
0.65
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 C13H15N3O4
MW 277.28
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.64

Activity Summary

EC50 2 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Giardia intestinalis
CHEMBL612652
 EC50 6.08 6.08 831.8 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Giardia intestinalis EC50 = 832.0 nM 6.08 Antigiardial activity against Giardia lamblia trophozoites isolates after 2 days... 19480409
Giardia intestinalis EC50 = 831.76 nM 6.08 Antigiardial activity against Giardia lamblia trophozoites isolates after 2 days... 19480409

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