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Compound Detail

CHEMBL3099629

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CCCCC(CCCC)=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3099629
Phase Preclinical
Structure Type MOL
InChI Key ABGNIXWIACKXBO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

574.9
MW (Da)
9.38
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.20
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H58N2O2
MW 574.89
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness -0.30

Literature References

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

Data from ChEMBL 36 via Core Engine