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Compound Detail

CHEMBL4277693

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O=C(O)c1ccnc(-c2cn(CC3CCCCC3)cn2)c1

Basic Information

ChEMBL ID CHEMBL4277693
Phase Preclinical
Structure Type MOL
InChI Key QUFQGCNSUGFPRL-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
3.22
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.94
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 C16H19N3O2
MW 285.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.71

Activity Summary

IC50 2 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

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine