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Compound Detail

CHEMBL2425467

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O=C(CC(O)c1cccc(O)c1)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2425467
Phase Preclinical
Structure Type MOL
InChI Key YHZVXWISURHQRS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

197.2
MW (Da)
0.32
ALogP
4
HBA
4
HBD
89.8
PSA (Ų)
0.41
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 C9H11NO4
MW 197.19
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.41

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23974021 10.1016/j.ejmech.2013.07.047 Urease subunit alpha/Urease subunit beta 2

Data from ChEMBL 36 via Core Engine