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Compound Detail

CHEMBL5283767

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N[C@@H]1C[C@H]1c1cccc(C(=O)NCc2ccccc2)c1

Basic Information

ChEMBL ID CHEMBL5283767
Phase Preclinical
Structure Type MOL
InChI Key UVFXVMZHVWWRGY-JKSUJKDBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
2.43
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O
MW 266.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.71

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific histone demethylase 1A IC50 = 300.0 nM 6.52 Inhibition of LSD1 (unknown origin) 34915312

Literature References

PubMed DOI Target Context # Activities
34915312 10.1016/j.ejmech.2021.114042 Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine