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Compound Detail

CHEMBL126394

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CC1CN=C2C(N3CCNCC3)=NC=CN21.O=C(O)C/C=C\CC(=O)O

Basic Information

ChEMBL ID CHEMBL126394
Phase Preclinical
Structure Type MOL
InChI Key DDLRSDUTHPWRGU-BTJKTKAUSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25N5O4
MW 363.42

Activity Summary

Ki 3 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-2A adrenergic receptor
CHEMBL4744
Ki 5.8 5.8 1600.0 1
Beta-1 adrenergic receptor
CHEMBL5471
Ki 4.99 4.99 10310.0 1
Beta-2 adrenergic receptor
CHEMBL5414
Ki 4.75 4.75 17700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1359141 10.1021/jm00099a012 Alpha-1A adrenergic receptor 1
1359141 10.1021/jm00099a012 Alpha-2A adrenergic receptor 1
1359141 10.1021/jm00099a012 Beta-1 adrenergic receptor 1
1359141 10.1021/jm00099a012 Beta-2 adrenergic receptor 1
1359141 10.1021/jm00099a012 Mus musculus 1

Data from ChEMBL 36 via Core Engine