Compound Detail
CHEMBL227442
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C[C@H]1C(=O)CCC2[C@]3(C)CC[C@@]4(C)C5CC(C)(C)[C@H](O)C[C@]5(C)CC[C@]4(C)C3CC[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL227442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLNRAGRUEHHINT-YIRVCTRYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
442.7
MW (Da)
7.43
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 4.7 | 4.7 | 19800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 19800.0 | nM | 4.7 | Antiprotozoal activity against Giardia intestinalis IMSS:0696:1 trophozoites aft... | 17385912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17385912 | 10.1021/np060559y | Giardia intestinalis | 1 |
Data from ChEMBL 36 via Core Engine