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Compound Detail

CHEMBL2337439

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COC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)OC(C)(C)C

Basic Information

ChEMBL ID CHEMBL2337439
Phase Preclinical
Structure Type MOL
InChI Key AZKFIYMTJCGUHM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

811.1
MW (Da)
5.63
ALogP
9
HBA
6
HBD
210.1
PSA (Ų)
0.03
QED
3
Ro5 Violations
36
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H78N6O9
MW 811.12
Aromatic Rings 0
Heavy Atoms 57
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
23540790 10.1021/jm4002007 Cathepsin B 1
23540790 10.1021/jm4002007 Calpain-1 catalytic subunit 1
23540790 10.1021/jm4002007 Proteasome Macropain subunit 1
23540790 10.1021/jm4002007 Proteasome component C5 1
23540790 10.1021/jm4002007 Proteasome Macropain subunit MB1 1

Data from ChEMBL 36 via Core Engine