Compound Detail
CHEMBL253548
6-Deoxymanzamine X Enter ChEMBL ID:
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O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)C3CCN(CCCC/C=C\CC1)C[C@@]31C[C@]34CC[C@H](CCCN3[C@H]12)O4
Basic Information
| ChEMBL ID | CHEMBL253548 |
| Name | 6-Deoxymanzamine X |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLKZPQNKNPCQGL-NZGBLPSWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
564.8
MW (Da)
6.42
ALogP
5
HBA
2
HBD
64.6
PSA (Ų)
0.33
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.8 | 5.8 | 1600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1600.0 | nM | 5.8 | Antiviral activity against HIV1 in human PBM cells | 12828469 |
| Human immunodeficiency virus 1 | EC50 | = | 1600.0 | nM | 5.8 | Antiviral activity against HIV1 infected in human PBMCs | 15332848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12828469 | 10.1021/np020592u | Plasmodium falciparum | 2 |
| 12828469 | 10.1021/np020592u | Leishmania donovani | 2 |
| 12828469 | 10.1021/np020592u | NON-PROTEIN TARGET | 2 |
| 15332848 | 10.1021/np0400095 | Staphylococcus aureus | 2 |
| 17708655 | 10.1021/np060092r | Glycogen synthase kinase-3 beta | 2 |
| 15332848 | 10.1021/np0400095 | Plasmodium falciparum | 2 |
| 15332848 | 10.1021/np0400095 | Leishmania donovani | 2 |
| 12828469 | 10.1021/np020592u | ADMET | 1 |
| 15332848 | 10.1021/np0400095 | Mycobacterium tuberculosis | 1 |
| 15332848 | 10.1021/np0400095 | Human immunodeficiency virus 1 | 1 |
| 15332848 | 10.1021/np0400095 | Mycobacterium intracellulare | 1 |
| 15332848 | 10.1021/np0400095 | Cryptococcus neoformans | 1 |
| 15332848 | 10.1021/np0400095 | Vero | 1 |
| 12828469 | 10.1021/np020592u | Human immunodeficiency virus 1 | 1 |
| 12828469 | 10.1021/np020592u | HT-29 | 1 |
| 12828469 | 10.1021/np020592u | Vero | 1 |
| 12828469 | 10.1021/np020592u | Mycobacterium tuberculosis | 1 |
| 8946747 | 10.1021/np9604083 | L5178Y | 1 |
| 8946747 | 10.1021/np9604083 | Spodoptera littoralis | 1 |
Data from ChEMBL 36 via Core Engine