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Compound Detail

CHEMBL3099627

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CCCCCCC(CCCCCC)=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3099627
Phase Preclinical
Structure Type MOL
InChI Key GMKDGTZZANIGRK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

631.0
MW (Da)
10.94
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.14
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H66N2O2
MW 631.00
Aromatic Rings 2
Heavy Atoms 46
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
24321833 10.1016/j.ejmech.2013.11.009 HL-60 1
24321833 10.1016/j.ejmech.2013.11.009 HEK293 1
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