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Compound Detail

CHEMBL4287989

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CN1CCC(Cn2cnc(-c3cc(C(=O)O)ccn3)c2)CC1

Basic Information

ChEMBL ID CHEMBL4287989
Phase Preclinical
Structure Type MOL
InChI Key VOWSMTDZMBRMCG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
1.99
ALogP
5
HBA
1
HBD
71.2
PSA (Ų)
0.93
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 C16H20N4O2
MW 300.36
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.86

Activity Summary

IC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 2B
CHEMBL3779760
IC50 6.0 5.63 1000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine