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Compound Detail

CHEMBL4286674

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O=C(O)c1ccnc(-c2cn(CC3CCCN3)cn2)c1

Basic Information

ChEMBL ID CHEMBL4286674
Phase Preclinical
Structure Type MOL
InChI Key JFCPDRJTGNEZRS-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
1.40
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.88
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 C14H16N4O2
MW 272.31
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.39

Activity Summary

IC50 2 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 2B
CHEMBL3779760
IC50 7.0 6.63 100.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine