12,34-Oxamanzamine A
AlkaPlorer ID: AK002957
Synonym: None
IUPAC Name: (1S,2R,8Z,10S,12R,13R,21Z)-26-(9H-pyrido[3,4-b]indol-1-yl)-28-oxa-3,16-diazahexacyclo[11.11.2.11,10.112,16.02,12.03,10]octacosa-8,21,25-triene
Structure
SMILES: C1CCN2CC[C@H]3C(=C[C@@]4(CC/C=C\C1)[C@H]5[C@]3(C2)C[C@]/6(N5CCCC/C=C6)O4)C7=NC=CC8=C7NC9=CC=CC=C89
InChI: InChI=1S/C36H42N4O/c1-2-5-11-20-39-22-16-29-28(31-32-27(15-19-37-31)26-13-7-8-14-30(26)38-32)23-35(17-9-3-1)33-34(29,25-39)24-36(41-35)18-10-4-6-12-21-40(33)36/h1,3,7-8,10,13-15,18-19,23,29,33,38H,2,4-6,9,11-12,16-17,20-22,24-25H2/b3-1-,18-10-/t29-,33+,34-,35-,36+/m0/s1
InChIKey: HRRCSEVLGXSDBY-LHGWCFSLSA-N
Reference
PubChem CID: 44593492
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 546.7590000000002
TPSA？: 44.39
MolLogP？: 7.221400000000009
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Acetylcholinesterase | Activity | nan | None | 10.1021/np0601399 |
| Chlorocebus sabaeus | Vero | Activity | nan | None | 10.1021/np020592u |
| Chlorocebus sabaeus | Vero | Activity | nan | None | 10.1021/np0601399 |
| Cryptococcus neoformans | Cryptococcus neoformans | Activity | nan | None | 10.1021/np0601399 |
| Homo sapiens | Beta-secretase 1 | Activity | nan | None | 10.1021/np0601399 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | nan | None | 10.1021/np0601399 |
| Leishmania donovani | Leishmania donovani | IC50 | 14.0 | ug.mL-1 | 10.1021/np020592u |
| Leishmania donovani | Leishmania donovani | IC50 | 14.0 | ug.mL-1 | 10.1021/np0601399 |
| Leishmania donovani | Leishmania donovani | IC90 | 40.0 | ug.mL-1 | 10.1021/np020592u |
| Leishmania donovani | Leishmania donovani | IC90 | 40.0 | ug.mL-1 | 10.1021/np0601399 |
| Mycobacterium intracellulare | Mycobacterium intracellulare | Activity | nan | None | 10.1021/np0601399 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Activity | nan | None | 10.1021/np0601399 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | nan | None | 10.1021/np020592u |
| Plasmodium falciparum | Plasmodium falciparum | Activity | nan | None | 10.1021/np020592u |
| Plasmodium falciparum | Plasmodium falciparum | Activity | nan | None | 10.1021/np0601399 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 4.76 | ug.mL-1 | 10.1021/np020592u |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 4.76 | ug.mL-1 | 10.1021/np0601399 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np0601399 |