Compound Detail
CHEMBL258020
NEO-KAULUAMINE Enter ChEMBL ID:
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O[C@@H]1CCCN2CC[C@@H]1O[C@@]13CC[C@@H](OC[C@]45CN6CCCC/C=C\CC[C@](O)(C=C(c7nccc8c7[nH]c7ccccc78)[C@@H]4CC6)[C@H]25)[C@@H](O)CCN1[C@@H]1[C@]2(CN4CCCC/C=C\CC[C@]1(O)C=C(c1nccc5c1[nH]c1ccccc15)[C@@H]2CC4)C3
Basic Information
| ChEMBL ID | CHEMBL258020 |
| Name | NEO-KAULUAMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBYWKABDYAEEIS-VZMZVYMRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
1163.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 2300.0 | nM | 5.64 | Antiviral activity against HIV1 infected in human PBMCs | 15332848 |
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 |
| 16872140 | 10.1021/np0601399 | ADMET | 2 |
| 18198837 | 10.1021/np0703702 | Mycobacterium tuberculosis | 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 |
| 16872140 | 10.1021/np0601399 | Glycogen synthase kinase-3 beta | 1 |
| 16872140 | 10.1021/np0601399 | Oryzias latipes | 1 |
| 19299148 | 10.1016/j.bmc.2009.02.050 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine