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Compound Detail

CHEMBL3934542

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Cc1ccccc1C1CC1NC1CCC(N)CC1

Basic Information

ChEMBL ID CHEMBL3934542
Phase Preclinical
Structure Type MOL
InChI Key VUUUJQSTZWEXHY-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

244.4
MW (Da)
2.71
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24N2
MW 244.38
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.51

Activity Summary

IC50 3 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
IC50 7.57 7.57 27.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine