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Compound Detail

CHEMBL513227

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Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1

Basic Information

ChEMBL ID CHEMBL513227
Phase Preclinical
Structure Type MOL
InChI Key CXJXRPHNFJSDRE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.4
MW (Da)
4.57
ALogP
6
HBA
2
HBD
98.2
PSA (Ų)
0.42
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 C24H16F2N6O
MW 442.43
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.75

Activity Summary

IC50 1 meas. best 6.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 6.36 6.36 440.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19101143 10.1016/j.bmcl.2008.11.058 Insulin-like growth factor 1 receptor 2

Data from ChEMBL 36 via Core Engine