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Compound Detail

CHEMBL1809226

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COc1ccc2ncc(-c3nc(Nc4ccc(N5CCN(C(C)=O)CC5)cc4OC)ncc3Cl)n2c1

Basic Information

ChEMBL ID CHEMBL1809226
Phase Preclinical
Structure Type MOL
InChI Key USTYCAYMLDJVPF-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

508.0
MW (Da)
3.87
ALogP
9
HBA
1
HBD
97.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26ClN7O3
MW 507.98
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.63

Activity Summary

IC50 2 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 7.26 7.22 55.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21775140 10.1016/j.bmcl.2011.06.093 Insulin-like growth factor 1 receptor 2

Data from ChEMBL 36 via Core Engine