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Compound Detail

CHEMBL5432181

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c1ccc2c(NCCN3CCOCC3)c3ccccc3nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5432181
Phase Preclinical
Structure Type MOL
InChI Key RDSPWWIWPUOHAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
3.13
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N3O
MW 307.40
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
36913900 10.1016/j.ejmech.2023.115255 Lysine-specific histone demethylase 1A 2

Data from ChEMBL 36 via Core Engine