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Compound Detail

CHEMBL5758159

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O=C(NC1CCC(F)(F)CC1)c1cc(C2CC2NCC2CC2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5758159
Phase Preclinical
Structure Type MOL
InChI Key PSYDXVRMASFGBH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.5
MW (Da)
3.91
ALogP
3
HBA
2
HBD
41.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24F2N2OS
MW 354.47
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 6.17 6.17 680.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific histone demethylase 1A IC50 = 680.0 nM 6.17 LSD1 Inhibitory Assay: A test compound dissolved in DMSO was added by to a react... -

Data from ChEMBL 36 via Core Engine