Compound Detail
CHEMBL448901
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[O-][N+]1=C(C2=C[C@@]3(O)CC/C=C\CCCCN4CC[C@@H]2[C@]2(CC5/C=C\CCCCN5[C@H]23)C4)c2[nH]c3ccccc3c2CC1
Basic Information
| ChEMBL ID | CHEMBL448901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPQVJBJQVWOEOF-SLKXIYNCSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
566.8
MW (Da)
5.71
ALogP
4
HBA
2
HBD
68.6
PSA (Ų)
0.26
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 | Staphylococcus aureus | 2 |
| 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 |
| 34332400 | 10.1016/j.ejmech.2021.113688 | L5178Y | 1 |
Data from ChEMBL 36 via Core Engine