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

CHEMBL1229663

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
COc1ccc(Cc2ccc(NC(N)=O)cc2)c(F)c1-c1cccc([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1229663
Phase Preclinical
Structure Type MOL
InChI Key ANIKIUAKBPWSRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
4.49
ALogP
4
HBA
2
HBD
107.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18FN3O4
MW 395.39
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
26908025 10.1021/acs.jmedchem.5b01813 Unchecked 1

Data from ChEMBL 36 via Core Engine