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

CHEMBL350419

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
CCCOC(=O)c1c(-c2ccccc2)nc(CC)c2c1CCOC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL350419
Phase Preclinical
Structure Type MOL
InChI Key RVJJGKLBYQARLA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
3.59
ALogP
5
HBA
0
HBD
65.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO4
MW 339.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.10

Activity Summary

Ki 1 meas. best 4.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosine receptor A1
CHEMBL318
 Ki 4.95 4.95 11200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenosine receptor A1 Ki = 11200.0 nM 4.95 Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor i... 10052977

Literature References

PubMed DOI Target Context # Activities
10052977 10.1021/jm980550w Adenosine receptor A1 1
10052977 10.1021/jm980550w Adenosine receptor A2a 1
10052977 10.1021/jm980550w Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine