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Compound Detail

CHEMBL28684

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CCCn1c(=O)n(C)c(=O)c2c1ncn2CCC(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL28684
Phase Preclinical
Structure Type MOL
InChI Key GCVNXDOEXKIURX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
-0.82
ALogP
7
HBA
1
HBD
104.9
PSA (Ų)
0.77
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 C12H17N5O3
MW 279.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.54

Activity Summary

Ki 1 meas. best 4.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
 Ki 4.03 4.03 92400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 4 Ki = 92400.0 nM 4.03 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