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Compound Detail

CHEMBL4286675

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c1ccc(Cn2cnc(-c3cc4[nH]nnc4cn3)c2)cc1

Basic Information

ChEMBL ID CHEMBL4286675
Phase Preclinical
Structure Type MOL
InChI Key HXVYFHLWSBBJSM-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
2.26
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.62
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 C15H12N6
MW 276.30
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -1.34

Activity Summary

IC50 4 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone lysine demethylase PHF8
CHEMBL1938212
IC50 7.0 6.63 100.0 2
Unchecked
CHEMBL612545
IC50 6.52 6.39 300.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine