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Compound Detail

CHEMBL218276

INOSCAVIN D
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COC1Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL218276
Name INOSCAVIN D
Phase Preclinical
Structure Type MOL
InChI Key ZWAYHEUXGNTJFZ-DUXPYHPUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
3.34
ALogP
8
HBA
4
HBD
129.6
PSA (Ų)
0.50
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 C21H16O8
MW 396.35
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 1.57

Activity Summary

IC50 1 meas. best 4.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.9 4.9 12500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 12500.0 nM 4.9 ABTS radical scavenging activity 16908141

Literature References

PubMed DOI Target Context # Activities
16908141 10.1016/j.bmcl.2006.08.016 NON-PROTEIN TARGET 1
16908141 10.1016/j.bmcl.2006.08.016 Unchecked 1
16908141 10.1016/j.bmcl.2006.08.016 No relevant target 1

Data from ChEMBL 36 via Core Engine