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Compound Detail

CHEMBL4845815

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COCCOc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCOC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4845815
Phase Preclinical
Structure Type MOL
InChI Key GXINQMHKONDKED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.3
MW (Da)
4.19
ALogP
7
HBA
1
HBD
74.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22BrN3O4
MW 448.32
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
34416665 10.1016/j.ejmech.2021.113778 Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine