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Compound Detail

CHEMBL4277523

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Clc1cccc(Cn2cnc(-c3cc(-c4nn[nH]n4)ccn3)c2)c1

Basic Information

ChEMBL ID CHEMBL4277523
Phase Preclinical
Structure Type MOL
InChI Key FXMXMXDWUPEOHJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

337.8
MW (Da)
2.83
ALogP
6
HBA
1
HBD
85.2
PSA (Ų)
0.62
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 C16H12ClN7
MW 337.77
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.95

Activity Summary

IC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 4C
CHEMBL6175
IC50 6.0 5.63 1000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine