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Compound Detail

CHEMBL3920473

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CC[C@H](Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL3920473
Phase Preclinical
Structure Type MOL
InChI Key YYNDKEHTFLPXSQ-HNNXBMFYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.3
MW (Da)
5.15
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21BrN6
MW 413.32
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.14

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