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

CHEMBL3604899

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=C(Nc1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3604899
Phase Preclinical
Structure Type MOL
InChI Key WABKXUJDYXWQAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.7
MW (Da)
3.21
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.52
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 C13H9ClN2O4
MW 292.68
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.62

Literature References

PubMed DOI Target Context # Activities
26272032 10.1016/j.bmc.2015.07.001 Unchecked 1
26272032 10.1016/j.bmc.2015.07.001 HEK293 1

Data from ChEMBL 36 via Core Engine