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

CHEMBL4468099

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
CNC(=O)Nc1cc2c(c(-c3cccc(C)c3C)n1)CCCN2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4468099
Phase Preclinical
Structure Type MOL
InChI Key XFIMHKCNXAAJKM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.47
ALogP
3
HBA
3
HBD
66.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4O
MW 310.40
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
32184970 10.1021/acsmedchemlett.9b00420 Oxidized purine nucleoside triphosphate hydrolase 1

Data from ChEMBL 36 via Core Engine