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

CHEMBL3113641

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=c1oc2ccc([N+](=O)[O-])cc2cc1CN1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3113641
Phase Preclinical
Structure Type MOL
InChI Key ZONOLZRPBGXBSD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
2.30
ALogP
5
HBA
0
HBD
76.6
PSA (Ų)
0.49
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 C14H14N2O4
MW 274.28
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
24393810 10.1016/j.ejmech.2013.11.035 Rattus norvegicus 3
24393810 10.1016/j.ejmech.2013.11.035 D(2) dopamine receptor 1
24393810 10.1016/j.ejmech.2013.11.035 Amine oxidase [flavin-containing] B 1
24393810 10.1016/j.ejmech.2013.11.035 Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine