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Compound Detail

CHEMBL1809192

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COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1nccc(-c2cnc3ccccn23)n1

Basic Information

ChEMBL ID CHEMBL1809192
Phase Preclinical
Structure Type MOL
InChI Key TVELTFUDLWTOQQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
3.21
ALogP
8
HBA
1
HBD
87.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N7O2
MW 443.51
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.86

Activity Summary

IC50 2 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 6.35 6.11 450.0 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
21775140 10.1016/j.bmcl.2011.06.093 Cyclin-dependent kinase 2 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine