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

CHEMBL2013153

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
O=[N+]([O-])c1ccc2c(c1)CC([O-])=N[N+]21CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2013153
Phase Preclinical
Structure Type MOL
InChI Key RGNNPFXYEBVSPH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
1.32
ALogP
4
HBA
0
HBD
78.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N3O3
MW 261.28
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
22000935 10.1016/j.ejmech.2011.07.053 Danio rerio 7

Data from ChEMBL 36 via Core Engine