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Compound Detail

CHEMBL3622280

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COc1ccc(Nc2nc(NCCCCCN3CCCC3)c3cc(OC)c(OC)cc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3622280
Phase Preclinical
Structure Type MOL
InChI Key VWOQTJALRYSZFA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
5.08
ALogP
8
HBA
2
HBD
80.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H35N5O3
MW 465.60
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
25554733 10.1039/c4md00317a N-lysine methyltransferase KMT5A 1

Data from ChEMBL 36 via Core Engine