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Compound Detail

CHEMBL448704

MANZAMINE J
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O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31CC/C=C\CCCCN[C@H]12

Basic Information

ChEMBL ID CHEMBL448704
Name MANZAMINE J
Phase Preclinical
Structure Type MOL
InChI Key FDTXAASVSUUWOT-GSXVTLMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

550.8
MW (Da)
7.15
ALogP
4
HBA
3
HBD
64.2
PSA (Ų)
0.28
QED
2
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C36H46N4O
MW 550.79
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness 1.75

Literature References

PubMed DOI Target Context # Activities
15332848 10.1021/np0400095 Plasmodium falciparum 2
15332848 10.1021/np0400095 Leishmania donovani 2
15332848 10.1021/np0400095 Staphylococcus aureus 2
8946747 10.1021/np9604083 Spodoptera littoralis 1
8946747 10.1021/np9604083 L5178Y 1
15332848 10.1021/np0400095 Vero 1
15332848 10.1021/np0400095 Cryptococcus neoformans 1
15332848 10.1021/np0400095 Mycobacterium intracellulare 1
15332848 10.1021/np0400095 Human immunodeficiency virus 1 1
15332848 10.1021/np0400095 Mycobacterium tuberculosis 1
34332400 10.1016/j.ejmech.2021.113688 L1210 1

Data from ChEMBL 36 via Core Engine