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

CHEMBL1788229

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
CC[C@H]1CN2C(=O)N(C)c3ncn(C)c3C2=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1788229
Phase Preclinical
Structure Type MOL
InChI Key SRWDCZFXABRQMR-ZETCQYMHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
0.83
ALogP
4
HBA
0
HBD
53.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N5O
MW 233.28
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.29

Activity Summary

Ki 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosine receptor A2a
CHEMBL302
 Ki 4.96 4.96 10900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenosine receptor A2a Ki = 10900.0 nM 4.96 Binding affinity to the adenosine A2A receptor by displacement of [3H]CGS-21680 ... 12139454

Literature References

PubMed DOI Target Context # Activities
12139454 10.1021/jm011093d Adenosine receptor A1 1
12139454 10.1021/jm011093d Adenosine receptor A2a 1
12139454 10.1021/jm011093d Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine