Compound Detail
CHEMBL502434
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O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C\CC[C@](O)(C=C(c5nccc6c5[nH]c5ccc(O)cc56)[C@@H]1CC4)[C@H]23
Basic Information
| ChEMBL ID | CHEMBL502434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNVMYASVHYRDQY-BHUZSFBASA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
580.8
MW (Da)
5.96
ALogP
6
HBA
3
HBD
92.7
PSA (Ų)
0.31
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 | Leishmania donovani | 2 |
| 16872140 | 10.1021/np0601399 | Staphylococcus aureus | 2 |
| 16872140 | 10.1021/np0601399 | Vero | 2 |
| 16872140 | 10.1021/np0601399 | Leishmania donovani | 2 |
| 16872140 | 10.1021/np0601399 | Plasmodium falciparum | 2 |
| 15332848 | 10.1021/np0400095 | Staphylococcus aureus | 2 |
| 15332848 | 10.1021/np0400095 | Plasmodium falciparum | 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 | Acetylcholinesterase | 1 |
| 16872140 | 10.1021/np0601399 | Beta-secretase 1 | 1 |
| 30685527 | 10.1016/j.ejmech.2019.01.026 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine