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Compound Detail

CHEMBL3622272

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COc1cc2nc(N(C)CCN3CCCC3)nc(NCCCCCN3CCCC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3622272
Phase Preclinical
Structure Type MOL
InChI Key JMSMBJBJKHEGMZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.7
MW (Da)
3.86
ALogP
8
HBA
1
HBD
66.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H42N6O2
MW 470.66
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.97

Literature References

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

Data from ChEMBL 36 via Core Engine