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Quick search ChEMBL 36
Compound Detail

CHEMBL5797523

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Cc1nnc(NC(=O)c2cc3c(c(C4CC4NCC4CC4)c2)OCC3)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5797523
Phase Preclinical
Structure Type MOL
InChI Key OXEBSVAEXGUDGB-UHFFFAOYSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
2.89
ALogP
6
HBA
2
HBD
76.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N4O2S
MW 370.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.16

Activity Summary

IC50 7 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.64 6.64 230.0 1
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 6.64 6.64 230.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 230.0 nM 6.64 Inhibitory Activity Assay: A test compound dissolved in DMSO was added by to a r... -
Lysine-specific histone demethylase 1A IC50 = 230.0 nM 6.64 LSD1 Inhibitory Activity: A test compound dissolved in DMSO was added by to a re... -
Lysine-specific histone demethylase 1A IC50 = 230.0 nM 6.64 LSD1 Inhibitory Assay: A test compound dissolved in DMSO was added by to a react... -
Lysine-specific histone demethylase 1A IC50 = 230.0 nM 6.64 LSD1 Inhibitory Assay: A test compound dissolved in DMSO was added by to a react... -
Lysine-specific histone demethylase 1A IC50 = 230.0 nM 6.64 Inhibition Assay: A test compound dissolved in DMSO was added by to a reaction s... -
Lysine-specific histone demethylase 1A IC50 = 230.0 nM 6.64 Inhibition Activity Assay: LSD1: A test compound dissolved in DMSO was added by ... -
Lysine-specific histone demethylase 1A IC50 = 230.0 nM 6.64 Inhibitory Activity Assay: LSD1: A test compound dissolved in DMSO was added by ... -

Data from ChEMBL 36 via Core Engine