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Compound Detail

CHEMBL3622281

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COc1cc2nc(Nc3ccc(C(F)(F)F)cc3)nc(NCCCCCN3CCCC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3622281
Phase Preclinical
Structure Type MOL
InChI Key GFBAZLNIPOIHQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

503.6
MW (Da)
6.09
ALogP
7
HBA
2
HBD
71.5
PSA (Ų)
0.31
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32F3N5O2
MW 503.57
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.28

Literature References

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

Data from ChEMBL 36 via Core Engine