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Compound Detail

CHEMBL3787253

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Nc1ncnc2c1c(-c1cccc(OCC3CCC3)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1

Basic Information

ChEMBL ID CHEMBL3787253
Phase Preclinical
Structure Type MOL
InChI Key YJHCQMYPIYWRES-PUZFROQSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.6
MW (Da)
4.52
ALogP
6
HBA
1
HBD
69.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N5O
MW 417.56
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.71

Activity Summary

IC50 1 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 5.72 5.72 1900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-like growth factor 1 receptor IC50 = 1900.0 nM 5.72 Inhibition of IGF-1 receptor (unknown origin) 26951750

Literature References

PubMed DOI Target Context # Activities
26951750 10.1016/j.bmcl.2016.02.074 Insulin-like growth factor 1 receptor 1

Data from ChEMBL 36 via Core Engine