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

CHEMBL361229

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
Cc1noc(C)c1CN1CCC[C@@H]1CNc1nc(N)n2nc(-c3ccco3)nc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL361229
Phase Preclinical
Structure Type MOL
InChI Key YXNQFFBUEWRZNL-CYBMUJFWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
2.04
ALogP
11
HBA
2
HBD
136.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N9O2
MW 409.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.15

Activity Summary

Ki 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosine receptor A2a
CHEMBL302
 Ki 6.29 6.29 516.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenosine receptor A2a Ki = 516.0 nM 6.29 Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissu... 15771443

Literature References

PubMed DOI Target Context # Activities
15771443 10.1021/jm0498396 Adenosine receptor A2a 1
15771443 10.1021/jm0498396 Adenosine receptor A1 1

Data from ChEMBL 36 via Core Engine