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Compound Detail

CHEMBL1822512

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c1ccc(-c2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nn23)cc1

Basic Information

ChEMBL ID CHEMBL1822512
Phase Preclinical
Structure Type MOL
InChI Key LUGGNKDLZYNKFK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
3.98
ALogP
6
HBA
1
HBD
54.7
PSA (Ų)
0.59
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 C22H21N5O
MW 371.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 6.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin receptor
CHEMBL1981
IC50 6.71 6.71 194.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin receptor IC50 = 194.0 nM 6.71 Inhibition of IR 21859094

Literature References

PubMed DOI Target Context # Activities
21859094 10.1021/jm200758k ALK tyrosine kinase receptor 1
21859094 10.1021/jm200758k Insulin receptor 1

Data from ChEMBL 36 via Core Engine