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

CHEMBL407246

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(Nc1ccccc1)OCc1cn(-c2ccc(Cl)cc2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL407246
Phase Preclinical
Structure Type MOL
InChI Key LYDVUNMUKWQJAS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

328.8
MW (Da)
3.67
ALogP
5
HBA
1
HBD
69.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13ClN4O2
MW 328.76
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.16

Literature References

PubMed DOI Target Context # Activities
18311908 10.1021/jm701121y Cytochrome P450 2C9 2
18311908 10.1021/jm701121y Cytochrome P450 3A4 2

Data from ChEMBL 36 via Core Engine