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Compound Detail

CHEMBL514577

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COc1cc(N2CCN(CC(C)C)CC2)ccc1Nc1nc(Nc2ccccc2C#N)c2cc[nH]c2n1

Basic Information

ChEMBL ID CHEMBL514577
Phase Preclinical
Structure Type MOL
InChI Key HUMUNFMWVZIXCU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
5.10
ALogP
8
HBA
3
HBD
105.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32N8O
MW 496.62
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.63

Activity Summary

IC50 2 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 7.1 6.33 79.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19081716 10.1016/j.bmcl.2008.11.065 Insulin-like growth factor 1 receptor 2

Data from ChEMBL 36 via Core Engine