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Compound Detail

CHEMBL1086896

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O=C(NO)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1086896
Phase Preclinical
Structure Type MOL
InChI Key PQBSPTAPCMSZAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

167.2
MW (Da)
1.30
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
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 -0.40

Literature References

PubMed DOI Target Context # Activities
19822427 10.1016/j.bmcl.2009.09.077 Succinyl-diaminopimelate desuccinylase 1

Data from ChEMBL 36 via Core Engine