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Compound Detail

CHEMBL4282610

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COc1cc(Br)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1

Basic Information

ChEMBL ID CHEMBL4282610
Phase Preclinical
Structure Type MOL
InChI Key BLKDIABUNZWHMB-UHFFFAOYSA-N
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.2
MW (Da)
3.32
ALogP
6
HBA
1
HBD
86.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14BrN3O4
MW 404.22
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.02

Activity Summary

IC50 5 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 4C
CHEMBL6175
IC50 7.26 6.608 55.0 5

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine