Compound Detail
CHEMBL501843
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O=C1CCCN2[C@@H]3[C@@]45CN6CCCC/C=C\CC[C@@]3(C=C(c3nccc7c3[nH]c3ccccc37)[C@@H]4CC6)O[C@]2(CC1)C5
Basic Information
| ChEMBL ID | CHEMBL501843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYMOBPPDZDVIQE-IUTPLNCYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
562.8
MW (Da)
6.62
ALogP
5
HBA
1
HBD
61.5
PSA (Ų)
0.34
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15332848 | 10.1021/np0400095 | Plasmodium falciparum | 4 |
| 15332848 | 10.1021/np0400095 | Leishmania donovani | 3 |
| 16872140 | 10.1021/np0601399 | Plasmodium falciparum | 2 |
| 16872140 | 10.1021/np0601399 | Staphylococcus aureus | 2 |
| 16872140 | 10.1021/np0601399 | Leishmania donovani | 2 |
| 15332848 | 10.1021/np0400095 | Staphylococcus aureus | 2 |
| 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 | Mycobacterium tuberculosis | 1 |
| 15332848 | 10.1021/np0400095 | Cryptococcus neoformans | 1 |
| 15332848 | 10.1021/np0400095 | Vero | 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 |
| 23665143 | 10.1016/j.bmc.2013.04.025 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine