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Compound Detail

CHEMBL4278099

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Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(N2CCCC2)cc1

Basic Information

ChEMBL ID CHEMBL4278099
Phase Preclinical
Structure Type MOL
InChI Key RYHMPYHFLUZIAQ-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
3.45
ALogP
5
HBA
1
HBD
71.2
PSA (Ų)
0.78
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 C20H20N4O2
MW 348.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.93

Activity Summary

IC50 3 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 4C
CHEMBL6175
IC50 7.0 6.63 100.0 2
Lysine-specific demethylase 5A/5B
CHEMBL4296073
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine