Compound Detail
CHEMBL332889
12,28-OXAMANZAMINE A Enter ChEMBL ID:
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C1=C(c2[nH]ccc3c4ccccc4nc2-3)[C@@H]2CCN3CCCC/C=C\CC[C@]14O[C@@H]1CCC/C=C\[C@H]5C[C@@]2(C3)[C@H]4N51
Basic Information
| ChEMBL ID | CHEMBL332889 |
| Name | 12,28-OXAMANZAMINE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URHUZIUZTFPQSX-UGZVZIBKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
546.8
MW (Da)
7.17
ALogP
4
HBA
1
HBD
44.4
PSA (Ų)
0.33
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.65 | 4.65 | 22200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 22200.0 | nM | 4.65 | Effective concentration against HIV-1 | 15214779 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15214779 | 10.1021/jm030475b | Staphylococcus aureus | 2 |
| 16872140 | 10.1021/np0601399 | Plasmodium falciparum | 2 |
| 16872140 | 10.1021/np0601399 | Leishmania donovani | 2 |
| 16872140 | 10.1021/np0601399 | Staphylococcus aureus | 2 |
| 15214779 | 10.1021/jm030475b | Cryptococcus neoformans | 1 |
| 15214779 | 10.1021/jm030475b | Mycobacterium intracellulare | 1 |
| 15214779 | 10.1021/jm030475b | Human immunodeficiency virus 1 | 1 |
| 16872140 | 10.1021/np0601399 | Mycobacterium tuberculosis | 1 |
| 16872140 | 10.1021/np0601399 | Cryptococcus neoformans | 1 |
| 16872140 | 10.1021/np0601399 | Mycobacterium intracellulare | 1 |
| 16872140 | 10.1021/np0601399 | Human immunodeficiency virus 1 | 1 |
| 16872140 | 10.1021/np0601399 | Vero | 1 |
| 16872140 | 10.1021/np0601399 | Acetylcholinesterase | 1 |
| 16872140 | 10.1021/np0601399 | Beta-secretase 1 | 1 |
Data from ChEMBL 36 via Core Engine