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Compound Detail

CHEMBL3098145

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CCC(=C(c1ccc(OCCCN2CCCC2)cc1)c1ccc(OCCCN2CCCC2)cc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3098145
Phase Preclinical
Structure Type MOL
InChI Key BSXJLKJQYUBCQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

538.8
MW (Da)
7.79
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.15
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H46N2O2
MW 538.78
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
24321833 10.1016/j.ejmech.2013.11.009 Unchecked 2
24321833 10.1016/j.ejmech.2013.11.009 Proteasome component C5 1
24321833 10.1016/j.ejmech.2013.11.009 Proteasome Macropain subunit 1
24321833 10.1016/j.ejmech.2013.11.009 Proteasome Macropain subunit MB1 1

Data from ChEMBL 36 via Core Engine