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Compound Detail

CHEMBL3977623

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Brc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1ccon1

Basic Information

ChEMBL ID CHEMBL3977623
Phase Preclinical
Structure Type MOL
InChI Key GAYVGIZGJOYMSQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.3
MW (Da)
3.55
ALogP
8
HBA
2
HBD
88.3
PSA (Ų)
0.65
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 C17H17BrN6O2
MW 417.27
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.91

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 6.8 50.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine