Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL333603

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
N=C(N)NC(=O)[C@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL333603
Phase Preclinical
Structure Type MOL
InChI Key FFTUAWOFPGGOSM-BDAKNGLRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

248.2
MW (Da)
0.71
ALogP
4
HBA
3
HBD
122.1
PSA (Ų)
0.32
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 C11H12N4O3
MW 248.24
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
11563929 10.1021/jm010100v Sodium/hydrogen exchanger 1 1

Data from ChEMBL 36 via Core Engine