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

CHEMBL13159

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
CCC(C)(C)CCn1cnc2c(O)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL13159
Phase Preclinical
Structure Type MOL
InChI Key IKHLVJLISFXSJF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
2.36
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.88
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 C12H18N4O
MW 234.30
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.61

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
8164252 10.1021/jm00034a008 Purine nucleoside phosphorylase 1

Data from ChEMBL 36 via Core Engine