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Compound Detail

CHEMBL1386265

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O=C(Nc1ccccc1N1CCOCC1)c1ccc(Br)o1

Basic Information

ChEMBL ID CHEMBL1386265
Phase Preclinical
Structure Type MOL
InChI Key CLXUHLBNKWJORM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

351.2
MW (Da)
3.13
ALogP
4
HBA
1
HBD
54.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15BrN2O3
MW 351.20
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.29

Activity Summary

IC50 1 meas. best 5.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 5.2 5.2 6331.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine