Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL490139

O-METHYLFLAVINANTINE
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COC1=C[C@]23CCN(C)[C@H](Cc4cc(OC)c(OC)cc42)C3=CC1=O

Basic Information

ChEMBL ID CHEMBL490139
Name O-METHYLFLAVINANTINE
Phase Preclinical
Structure Type MOL
InChI Key DBPGJIUVRZHFCM-FOIQADDNSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
2.24
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.84
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 C20H23NO4
MW 341.41
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 2.12

Activity Summary

IC50 2 meas. best 4.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Entamoeba histolytica
CHEMBL612853
IC50 4.13 4.13 73400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Entamoeba histolytica IC50 = 73400.0 nM 4.13 Antiamnesic activity against Entamoeba histolytica NIH 200 after 72 hrs by micro... 11141105

Literature References

PubMed DOI Target Context # Activities
9544561 10.1021/np970399d Platelet 4
9544561 10.1021/np970399d ADMET 1
11141105 10.1021/np000144r Plasmodium falciparum 1
11141105 10.1021/np000144r Entamoeba histolytica 1
11141105 10.1021/np000144r KB 1
- 10.1007/s00044-011-9767-1 Entamoeba histolytica 1

Data from ChEMBL 36 via Core Engine