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Compound Detail

CHEMBL4283150

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CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1Cl

Basic Information

ChEMBL ID CHEMBL4283150
Phase Preclinical
Structure Type MOL
InChI Key FJXXVLHXLPRIGW-UHFFFAOYSA-N
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

357.8
MW (Da)
3.76
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.73
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 C18H16ClN3O3
MW 357.80
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.27

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