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Compound Detail

CHEMBL260815

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CN(C)CCC(=O)c1cccc([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL260815
Phase Preclinical
Structure Type MOL
InChI Key SJICOWGLWXIDAC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

222.2
MW (Da)
1.73
ALogP
4
HBA
0
HBD
63.5
PSA (Ų)
0.43
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 C11H14N2O3
MW 222.24
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
17545669 10.1074/jbc.m701857200 Sortase A 1
17545669 10.1074/jbc.m701857200 Unchecked 1
17545669 10.1074/jbc.m701857200 Papain 1

Data from ChEMBL 36 via Core Engine