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Compound Detail

CHEMBL5437914

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O=C1COCCN1c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5437914
Phase Preclinical
Structure Type MOL
InChI Key QGKNIQFQFIXHMJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
4.49
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N3O2
MW 369.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.18

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