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Compound Detail

CHEMBL5773232

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Cn1nc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5773232
Phase Preclinical
Structure Type MOL
InChI Key AWIUIKQSXIHYSJ-UHFFFAOYSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
1.54
ALogP
4
HBA
2
HBD
72.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20F2N4O
MW 298.34
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.98

Activity Summary

IC50 7 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.77 5.77 1700.0 1
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 5.77 5.77 1700.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1700.0 nM 5.77 Inhibitory Activity Assay: A test compound dissolved in DMSO was added by to a r... -
Lysine-specific histone demethylase 1A IC50 = 1700.0 nM 5.77 LSD1 Inhibitory Activity: A test compound dissolved in DMSO was added by to a re... -
Lysine-specific histone demethylase 1A IC50 = 1700.0 nM 5.77 LSD1 Inhibitory Assay: A test compound dissolved in DMSO was added by to a react... -
Lysine-specific histone demethylase 1A IC50 = 1700.0 nM 5.77 LSD1 Inhibitory Assay: A test compound dissolved in DMSO was added by to a react... -
Lysine-specific histone demethylase 1A IC50 = 1700.0 nM 5.77 Inhibition Assay: A test compound dissolved in DMSO was added by to a reaction s... -
Lysine-specific histone demethylase 1A IC50 = 1700.0 nM 5.77 Inhibition Activity Assay: LSD1: A test compound dissolved in DMSO was added by ... -
Lysine-specific histone demethylase 1A IC50 = 1700.0 nM 5.77 Inhibitory Activity Assay: LSD1: A test compound dissolved in DMSO was added by ... -

Data from ChEMBL 36 via Core Engine