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Compound Detail

CHEMBL4862924

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COCCOc1cc2ncnc(N3CCN(C(C)=O)CC3)c2cc1OCCOC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4862924
Phase Preclinical
Structure Type MOL
InChI Key NVWBBOOSOPXMGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
1.35
ALogP
8
HBA
0
HBD
86.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28N4O5
MW 404.47
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.16

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