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Compound Detail

CHEMBL3938067

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CC(C)(C)c1cc(Nc2nc(Nc3ccccc3)ncc2Br)n[nH]1

Basic Information

ChEMBL ID CHEMBL3938067
Phase Preclinical
Structure Type MOL
InChI Key KVCSVQWWRYIGEL-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.3
MW (Da)
4.75
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19BrN6
MW 387.29
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.26

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