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

CHEMBL286741

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
CCCn1c(=O)n(C)c(=O)c2c1ncn2CCN(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL286741
Phase Preclinical
Structure Type MOL
InChI Key GDSCDPWNYKZPQP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
-0.13
ALogP
7
HBA
0
HBD
65.1
PSA (Ų)
0.76
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 C13H21N5O2
MW 279.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.62

Activity Summary

Ki 1 meas. best 4.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
 Ki 4.28 4.28 53000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 4 Ki = 53000.0 nM 4.28 Inhibition of cyclic AMP-phosphodiesterase ( PDE) in the supernatant of tracheal... 8496906

Literature References

PubMed DOI Target Context # Activities
8496906 10.1021/jm00062a010 Cavia porcellus 2
8496906 10.1021/jm00062a010 NON-PROTEIN TARGET 1
8496906 10.1021/jm00062a010 Phosphodiesterase 4 1
8496906 10.1021/jm00062a010 Adenosine receptor A1 1
8496906 10.1021/jm00062a010 Adenosine A2 receptor 1

Data from ChEMBL 36 via Core Engine