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Compound Detail

CHEMBL1222855

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O=C(NCc1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1)c1ccc(F)nc1

Basic Information

ChEMBL ID CHEMBL1222855
Phase Preclinical
Structure Type MOL
InChI Key FQECDJFBKXFTIW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
2.54
ALogP
7
HBA
3
HBD
112.9
PSA (Ų)
0.43
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 C19H17FN8O
MW 392.40
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -2.09

Activity Summary

IC50 2 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 8.28 7.84 5.3 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20675137 10.1016/j.bmcl.2010.07.045 Insulin-like growth factor 1 receptor 2
20675137 10.1016/j.bmcl.2010.07.045 ADMET 1

Data from ChEMBL 36 via Core Engine