Compound Detail
CHEMBL500612
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[O-][n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C\CCCCN4[C@H]12)C3
Basic Information
| ChEMBL ID | CHEMBL500612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQHDHZMKBBWVQD-MKYGIPPKSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
564.8
MW (Da)
6.09
ALogP
4
HBA
2
HBD
69.4
PSA (Ų)
0.21
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 | 2 |
| 15332848 | 10.1021/np0400095 | Leishmania donovani | 2 |
| 15332848 | 10.1021/np0400095 | Staphylococcus aureus | 2 |
| 8946747 | 10.1021/np9604083 | Spodoptera littoralis | 1 |
| 8946747 | 10.1021/np9604083 | L5178Y | 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 |
| 28412530 | 10.1016/j.ejmech.2017.04.003 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine