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Compound Detail

CHEMBL464532

BRIPIODIONEN
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CC(C)C1O/C(=C2/C(=O)NC(CC(N)=O)C2=O)C=CC1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL464532
Name BRIPIODIONEN
Phase Preclinical
Structure Type MOL
InChI Key LKVLXIJSYMEIPY-ZRDIBKRKSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
0.43
ALogP
4
HBA
2
HBD
98.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H20N2O4
MW 292.34
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 1.90

Activity Summary

IC50 2 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.52 4.52 30000.0 1
M109
CHEMBL614073
 IC50 4.47 4.47 34000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 30000.0 nM 4.52 Inhibition of HCMV protease 9170296
M109 IC50 = 34000.0 nM 4.47 Cytotoxicity against mouse M109 cells after 72 hrs by XTT assay 9170296

Literature References

PubMed DOI Target Context # Activities
9170296 10.1021/np970054v Unchecked 1
9170296 10.1021/np970054v M109 1

Data from ChEMBL 36 via Core Engine