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Compound Detail

CHEMBL3932715

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CN(C)C(=O)Oc1cccc(Nc2ncc(Br)c(Nc3cc(C4CC4)n[nH]3)n2)c1

Basic Information

ChEMBL ID CHEMBL3932715
Phase Preclinical
Structure Type MOL
InChI Key UYARSXHUQSJQHA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.3
MW (Da)
4.39
ALogP
7
HBA
3
HBD
108.1
PSA (Ų)
0.50
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 C19H20BrN7O2
MW 458.32
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.44

Activity Summary

IC50 2 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 7.3 7.3 50.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine