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Compound Detail

CHEMBL6059512

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O=C(NC1CCC(F)(F)CC1)c1cc(C2CC2NC2CCOCC2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6059512
Phase Preclinical
Structure Type MOL
InChI Key LSNMDSPRPDXSRQ-UHFFFAOYSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
3.68
ALogP
4
HBA
2
HBD
50.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26F2N2O2S
MW 384.49
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.75

Activity Summary

IC50 7 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.4 6.4 400.0 1
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 6.4 6.4 400.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 400.0 nM 6.4 Inhibitory Activity Assay: A test compound dissolved in DMSO was added by to a r... -
Lysine-specific histone demethylase 1A IC50 = 400.0 nM 6.4 LSD1 Inhibitory Activity: A test compound dissolved in DMSO was added by to a re... -
Lysine-specific histone demethylase 1A IC50 = 400.0 nM 6.4 LSD1 Inhibitory Assay: A test compound dissolved in DMSO was added by to a react... -
Lysine-specific histone demethylase 1A IC50 = 400.0 nM 6.4 LSD1 Inhibitory Assay: A test compound dissolved in DMSO was added by to a react... -
Lysine-specific histone demethylase 1A IC50 = 400.0 nM 6.4 Inhibition Assay: A test compound dissolved in DMSO was added by to a reaction s... -
Lysine-specific histone demethylase 1A IC50 = 400.0 nM 6.4 Inhibition Activity Assay: LSD1: A test compound dissolved in DMSO was added by ... -
Lysine-specific histone demethylase 1A IC50 = 400.0 nM 6.4 Inhibitory Activity Assay: LSD1: A test compound dissolved in DMSO was added by ... -

Data from ChEMBL 36 via Core Engine