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Compound Detail

CHEMBL4278375

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CN(CCn1cnc(-c2cc(C(=O)NC#N)ccn2)c1)CC1CC1

Basic Information

ChEMBL ID CHEMBL4278375
Phase Preclinical
Structure Type MOL
InChI Key YLAZXWUGKKWCID-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
1.50
ALogP
6
HBA
1
HBD
86.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N6O
MW 324.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.45

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