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Compound Detail

CHEMBL257114

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Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCn4cc(Br)cn4)cc[nH]c3=O)nc12

Basic Information

ChEMBL ID CHEMBL257114
Phase Preclinical
Structure Type MOL
InChI Key WRCHNEFMYQRRJZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.4
MW (Da)
3.13
ALogP
7
HBA
3
HBD
103.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24BrN7O2
MW 498.39
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.69

Activity Summary

IC50 2 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 7.09 6.965 82.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18258427 10.1016/j.bmcl.2008.01.049 Insulin-like growth factor 1 receptor 2

Data from ChEMBL 36 via Core Engine