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Compound Detail

CHEMBL282283

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CCCCc1nc(Cl)c(Cc2nnn[nH]2)n1Cc1ccc(-c2nnn[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL282283
Phase Preclinical
Structure Type MOL
InChI Key LHVLUYMOMISGJJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

398.9
MW (Da)
2.21
ALogP
8
HBA
2
HBD
126.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19ClN10
MW 398.86
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.57

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094112
IC50 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor IC50 = 1200.0 nM 5.92 Inhibitory concentration that gave 50 percent displacement of specific binding o... 2329553

Literature References

PubMed DOI Target Context # Activities
2329553 10.1021/jm00167a007 Angiotensin II receptor 1
2329553 10.1021/jm00167a007 No relevant target 1

Data from ChEMBL 36 via Core Engine