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Compound Detail

CHEMBL3593638

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COc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3593638
Phase Preclinical
Structure Type MOL
InChI Key DQMQBJQBYREIBB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
3.22
ALogP
4
HBA
1
HBD
64.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2O3
MW 258.28
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.56

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