Compound Detail
CHEMBL5192788
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CC(=O)[C@@H]1[C@@H]2[C@H](Oc3ccc(cc3)C[C@]3(O)C[C@]4(C[C@@H](O)[C@](C)(C=O)[C@@H]2C4=O)C(=O)N3)[C@@H]2[C@@H](C)C[C@@H](C)C[C@]21C
Basic Information
| ChEMBL ID | CHEMBL5192788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKUAGDSHKUBAIZ-ZUGABKLXSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
551.7
MW (Da)
2.86
ALogP
7
HBA
3
HBD
130.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35930265 | 10.1021/acs.jnatprod.2c00473 | Staphylococcus aureus | 2 |
| 35930265 | 10.1021/acs.jnatprod.2c00473 | Tyrosine-protein phosphatase non-receptor type 6 | 1 |
| 35930265 | 10.1021/acs.jnatprod.2c00473 | Receptor-type tyrosine-protein phosphatase C | 1 |
| 35930265 | 10.1021/acs.jnatprod.2c00473 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 35930265 | 10.1021/acs.jnatprod.2c00473 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 35930265 | 10.1021/acs.jnatprod.2c00473 | Receptor-type tyrosine-protein phosphatase F | 1 |
| 35930265 | 10.1021/acs.jnatprod.2c00473 | NCI-H1975 | 1 |
| 35930265 | 10.1021/acs.jnatprod.2c00473 | Bacillus subtilis | 1 |
| 35930265 | 10.1021/acs.jnatprod.2c00473 | Bacillus amyloliquefaciens | 1 |
| 35930265 | 10.1021/acs.jnatprod.2c00473 | Escherichia coli | 1 |
| 35930265 | 10.1021/acs.jnatprod.2c00473 | Streptococcus agalactiae | 1 |
Data from ChEMBL 36 via Core Engine