Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3099628

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCC(CCCCC)=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3099628
Phase Preclinical
Structure Type MOL
InChI Key UFPMOSNHJCCELT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

603.0
MW (Da)
10.16
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H62N2O2
MW 602.95
Aromatic Rings 2
Heavy Atoms 44
NP-Likeness -0.24

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 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
24321833 10.1016/j.ejmech.2013.11.009 HEK293 1

Data from ChEMBL 36 via Core Engine