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Compound Detail

CHEMBL27915

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CCCn1c(=O)n(CC(N)=O)c(=O)c2[nH]cnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL27915
Phase Preclinical
Structure Type MOL
InChI Key PRDAKIGJWRVGMI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

251.2
MW (Da)
-1.22
ALogP
6
HBA
2
HBD
115.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13N5O3
MW 251.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.37

Activity Summary

Ki 1 meas. best 4.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosine receptor A1
CHEMBL2304404
 Ki 4.4 4.4 39700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenosine receptor A1 Ki = 39700.0 nM 4.4 Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]CPX ... 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