Compound Detail
CHEMBL5936573
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CC1(C)OCCC(=O)OC[C@@H]2[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321
Basic Information
| ChEMBL ID | CHEMBL5936573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHDCKWIUZCEHEE-FWENLCODSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
3.39
ALogP
8
HBA
0
HBD
104.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.22 | 5.22 | 6000.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 6000.0 | nM | 5.22 | Metabolic Measurements: Glucose in tail blood was measured using a glucometer (O... | - |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 9000.0 | nM | 5.05 | Metabolic Measurements: Glucose in tail blood was measured using a glucometer (O... | - |
Data from ChEMBL 36 via Core Engine