Compound Detail
CHEMBL399493
MANZAMINE E Enter ChEMBL ID:
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O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C\CC[C@](O)(C=C(c5nccc6c5[nH]c5ccccc56)C1CC4)[C@H]23
Basic Information
| ChEMBL ID | CHEMBL399493 |
| Name | MANZAMINE E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTHULOBARTYAMF-ASQXKTFQSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
564.8
MW (Da)
6.26
ALogP
5
HBA
2
HBD
72.5
PSA (Ų)
0.34
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.88
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.88 | 4.88 | 13100.0 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 13100.0 | nM | 4.88 | Effective concentration against HIV-1 | 15214779 |
| Human immunodeficiency virus 1 | EC50 | = | 13100.0 | nM | 4.88 | Antiviral activity against HIV1 infected in human PBMCs | 15332848 |
| Glycogen synthase kinase-3 beta | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of human recombinant GSKbeta | 17708655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16872140 | 10.1021/np0601399 | Plasmodium falciparum | 2 |
| 16872140 | 10.1021/np0601399 | Leishmania donovani | 2 |
| 16872140 | 10.1021/np0601399 | Staphylococcus aureus | 2 |
| 17708655 | 10.1021/np060092r | Glycogen synthase kinase-3 beta | 2 |
| 12828469 | 10.1021/np020592u | Plasmodium falciparum | 2 |
| 12828469 | 10.1021/np020592u | Leishmania donovani | 2 |
| 15214779 | 10.1021/jm030475b | Staphylococcus aureus | 2 |
| 15332848 | 10.1021/np0400095 | Plasmodium falciparum | 2 |
| 15332848 | 10.1021/np0400095 | Leishmania donovani | 2 |
| 15332848 | 10.1021/np0400095 | Staphylococcus aureus | 2 |
| 12828469 | 10.1021/np020592u | Vero | 1 |
| 15332848 | 10.1021/np0400095 | Human immunodeficiency virus 1 | 1 |
| 16872140 | 10.1021/np0601399 | Beta-secretase 1 | 1 |
| 15332848 | 10.1021/np0400095 | Cryptococcus neoformans | 1 |
| 15332848 | 10.1021/np0400095 | Vero | 1 |
| 12828469 | 10.1021/np020592u | Mycobacterium tuberculosis | 1 |
| 8946747 | 10.1021/np9604083 | L5178Y | 1 |
| 8946747 | 10.1021/np9604083 | Spodoptera littoralis | 1 |
| 15214779 | 10.1021/jm030475b | Human immunodeficiency virus 1 | 1 |
| 15214779 | 10.1021/jm030475b | Mycobacterium intracellulare | 1 |
Data from ChEMBL 36 via Core Engine