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

CHEMBL238636

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
Cn1c(=O)c2c(nc3n2CCCN3C(c2ccccc2)c2ccccc2)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL238636
Phase Preclinical
Structure Type MOL
InChI Key VMNRJKSWPJXLCC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
2.43
ALogP
7
HBA
0
HBD
65.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N5O2
MW 401.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
17499511 10.1016/j.bmc.2007.04.018 Adenosine receptor A1 2
17499511 10.1016/j.bmc.2007.04.018 Adenosine receptor A2a 2

Data from ChEMBL 36 via Core Engine