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Compound Detail

CHEMBL406736

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COC(=O)CCCCCCCC(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)C(=O)NC(C=O)CC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL406736
Phase Preclinical
Structure Type MOL
InChI Key XZXJGVCQHAWMAW-ZBAATNBSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

722.0
MW (Da)
4.21
ALogP
9
HBA
4
HBD
195.3
PSA (Ų)
0.05
QED
1
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H59N5O8S
MW 721.96
Aromatic Rings 1
Heavy Atoms 50
NP-Likeness 0.56

Literature References

PubMed DOI Target Context # Activities
7608891 10.1021/jm00013a002 20S proteasome 1

Data from ChEMBL 36 via Core Engine