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Compound Detail

CHEMBL447239

CINNABARAMIDE G
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CCCCCC[C@H]1C(=O)N[C@](C(=O)SC[C@H](NC(C)=O)C(=O)OC)([C@@H](O)[C@@H]2C=CCCC2)[C@@]1(C)O

Basic Information

ChEMBL ID CHEMBL447239
Name CINNABARAMIDE G
Phase Preclinical
Structure Type MOL
InChI Key GMTRMEITDRYTSO-YNCBRICXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

512.7
MW (Da)
1.85
ALogP
8
HBA
4
HBD
142.0
PSA (Ų)
0.18
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H40N2O7S
MW 512.67
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 1.85

Activity Summary

IC50 1 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
20S proteasome
CHEMBL3831201
IC50 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
20S proteasome IC50 = 0.6 nM 9.22 Inhibition of human 20S proteasome 17249727

Literature References

PubMed DOI Target Context # Activities
17249727 10.1021/np060162u No relevant target 2
17249727 10.1021/np060162u Unchecked 1
17249727 10.1021/np060162u Trypsin 1
17249727 10.1021/np060162u 20S proteasome 1

Data from ChEMBL 36 via Core Engine