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Compound Detail

CHEMBL583046

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COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCOCC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL583046
Phase Preclinical
Structure Type MOL
InChI Key AWRSARCJWVGKDP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
2.38
ALogP
8
HBA
1
HBD
72.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H31N5O3
MW 401.51
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
19891491 10.1021/jm901543m Histone-lysine N-methyltransferase EHMT2 2
20614940 10.1021/jm100478y Histone-lysine N-methyltransferase EHMT2 2

Data from ChEMBL 36 via Core Engine