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Compound Detail

CHEMBL3594265

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O=[N+]([O-])c1ccccc1CNc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3594265
Phase Preclinical
Structure Type MOL
InChI Key UZVULDPLKQSWIM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.7
MW (Da)
3.86
ALogP
3
HBA
1
HBD
55.2
PSA (Ų)
0.67
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 C13H11ClN2O2
MW 262.70
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.81

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26113187 10.1016/j.bmc.2015.06.014 Urease subunit alpha/Urease subunit beta 2

Data from ChEMBL 36 via Core Engine