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Compound Detail

CHEMBL235428

MAGNOFLORINE
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COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL235428
Name MAGNOFLORINE
Phase Preclinical
Structure Type MOL
InChI Key YLRXAIKMLINXQY-ZDUSSCGKSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.01
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H24NO4+
MW 342.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.93

Literature References

PubMed DOI Target Context # Activities
31859028 10.1016/j.bmc.2019.115093 HaCaT 14
31859028 10.1016/j.bmc.2019.115093 Mus musculus 9
10543898 10.1021/np9901581 Unchecked 7
28228365 10.1016/j.bmcl.2017.02.003 C2C12 7
7119806 10.1021/np50021a009 Mus musculus 4
10543898 10.1021/np9901581 ADMET 4
37689215 10.1016/j.bmcl.2023.129470 ADMET 3
37689215 10.1016/j.bmcl.2023.129470 Unchecked 3
17723297 10.1016/j.bmcl.2007.08.027 Hepatitis B virus 2
8254346 10.1021/np50099a005 Plasmodium falciparum 2
37689215 10.1016/j.bmcl.2023.129470 Mus musculus 2
17723297 10.1016/j.bmcl.2007.08.027 NON-PROTEIN TARGET 1
- 10.1007/s00044-011-9767-1 Entamoeba histolytica 1
28228365 10.1016/j.bmcl.2017.02.003 MAP kinase p38 1
28228365 10.1016/j.bmcl.2017.02.003 RAC-alpha serine/threonine-protein kinase 1
31859028 10.1016/j.bmc.2019.115093 ADMET 1

Data from ChEMBL 36 via Core Engine