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Compound Detail

CHEMBL404308

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

Basic Information

ChEMBL ID CHEMBL404308
Phase Preclinical
Structure Type MOL
InChI Key AIDPYGNJDVIIOF-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
2.24
ALogP
8
HBA
3
HBD
127.7
PSA (Ų)
0.42
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 C23H24N8O2
MW 444.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.66

Activity Summary

IC50 3 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 6.17 6.1433 680.0 3

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
20153189 10.1016/j.bmcl.2010.01.087 Insulin-like growth factor 1 receptor 1
20153189 10.1016/j.bmcl.2010.01.087 Nuclear receptor subfamily 1 group I member 2 1

Data from ChEMBL 36 via Core Engine