Compound Detail
CHEMBL3391893
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CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@H](O)C[C@]23C)O1
Basic Information
| ChEMBL ID | CHEMBL3391893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFJUYMMIBFBOJY-UXZRXANASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.7
MW (Da)
5.71
ALogP
4
HBA
3
HBD
69.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 10000.0 | nM | 5.0 | Metabolic Measurements: Glucose in tail blood was measured using a glucometer (O... | - |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 14000.0 | nM | 4.85 | Metabolic Measurements: Glucose in tail blood was measured using a glucometer (O... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31655431 | 10.1016/j.ejmech.2019.111729 | Cardiac muscle cell | 4 |
| 32738969 | 10.1016/j.bmcl.2020.127364 | Creatine kinase M-type | 2 |
| 31655431 | 10.1016/j.ejmech.2019.111729 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine