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Compound Detail

CHEMBL205444

METHYLINOSCAVIN C
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COc1cc(/C=C/c2cc3oc(-c4ccc(O)c(O)c4)c(C(C)=O)c3c(=O)o2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL205444
Name METHYLINOSCAVIN C
Phase Preclinical
Structure Type MOL
InChI Key LWDOBNFZTXHPQD-ZZXKWVIFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.4
MW (Da)
4.55
ALogP
8
HBA
3
HBD
130.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H18O8
MW 434.40
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness 1.02

Activity Summary

IC50 1 meas. best 4.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Radical scavenging activity
CHEMBL613712
 IC50 4.91 4.91 12300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Radical scavenging activity IC50 = 12300.0 nM 4.91 ABTS radical scavenging activity 16488146

Literature References

PubMed DOI Target Context # Activities
16488146 10.1016/j.bmcl.2006.01.121 Radical scavenging activity 3

Data from ChEMBL 36 via Core Engine