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

CHEMBL3319239

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
Cn1cc(C(=O)Nc2ccc3[nH]ncc3c2)ccc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3319239
Phase Preclinical
Structure Type MOL
InChI Key GMHJBZASTRHBNV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
1.51
ALogP
4
HBA
2
HBD
79.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N4O2
MW 268.28
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.04

Literature References

PubMed DOI Target Context # Activities
24955776 10.1021/jm500729a Amine oxidase [flavin-containing] A 2
24955776 10.1021/jm500729a Amine oxidase [flavin-containing] B 2

Data from ChEMBL 36 via Core Engine