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Compound Detail

CHEMBL3894108

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Brc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL3894108
Phase Preclinical
Structure Type MOL
InChI Key OJEZZYSYYHHNSR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.3
MW (Da)
4.56
ALogP
6
HBA
2
HBD
62.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20BrN5O
MW 426.32
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.54

Activity Summary

IC50 1 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 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine