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Compound Detail

CHEMBL5631287

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NC1CCN(c2ncnc3cc(C(=O)NCCN4CCNCC4)ccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5631287
Phase Preclinical
Structure Type MOL
InChI Key HNUSFLOFGXHLLZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
0.19
ALogP
7
HBA
3
HBD
99.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29N7O
MW 383.50
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.64

Literature References

PubMed DOI Target Context # Activities
37597437 10.1016/j.ejmech.2023.115713 Protein arginine N-methyltransferase 1 1
37597437 10.1016/j.ejmech.2023.115713 Histone-lysine N-methyltransferase SUV39H1 1
37597437 10.1016/j.ejmech.2023.115713 Histone-lysine N-methyltransferase SMYD3 1

Data from ChEMBL 36 via Core Engine