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Compound Detail

CHEMBL569422

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O=C(COc1ccccc1)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL569422
Phase Preclinical
Structure Type MOL
InChI Key NUWNUNRECZGDII-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

167.2
MW (Da)
0.57
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.51
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 C8H9NO3
MW 167.16
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.97

Activity Summary

IC50 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
T1/2 3.0 hr Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
29983280 10.1016/j.bmc.2018.07.003 Urease subunit alpha/Urease subunit beta 2
19821586 10.1021/jm900648x Plasma 1
19821586 10.1021/jm900648x No relevant target 1

Data from ChEMBL 36 via Core Engine