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Compound Detail

CHEMBL3621699

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COc1cc2c(NCCCCCN3CCCC3)nc(N3CCCC3)nc2cc1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3621699
Phase Preclinical
Structure Type MOL
InChI Key ZCXMOHJRSVTGCY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.7
MW (Da)
5.50
ALogP
7
HBA
1
HBD
62.8
PSA (Ų)
0.34
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 C29H39N5O2
MW 489.66
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.09

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine