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

CHEMBL406419

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
CCOc1nc(N)nc2[nH]cnc12

Basic Information

ChEMBL ID CHEMBL406419
Phase Preclinical
Structure Type MOL
InChI Key SFXXRVSPZSOREJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

179.2
MW (Da)
0.33
ALogP
5
HBA
2
HBD
89.7
PSA (Ų)
0.69
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 C7H9N5O
MW 179.18
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
11063604 10.1021/jm000961o Methylated-DNA--protein-cysteine methyltransferase 3
12139449 10.1021/jm020056z Cyclin-dependent kinase 1/cyclin B1 1
12139449 10.1021/jm020056z Cyclin-dependent kinase 2/cyclin A 1
18271520 10.1021/jm070654j Cyclin-dependent kinase 1/cyclin B1 1
18271520 10.1021/jm070654j Unchecked 1

Data from ChEMBL 36 via Core Engine