Compound Detail
CHEMBL5907138
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CC/C=C/C(C)(O)OCC1(C)C(=O)CCC2(C)C1CCC1(C)C2CCC2C3C(C)C(C)CCC3(C)CCC21C
Basic Information
| ChEMBL ID | CHEMBL5907138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQBFECUQCTWGFC-GZTJUZNOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
540.9
MW (Da)
8.98
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 4.75 | 4.75 | 18000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 18000.0 | nM | 4.75 | Metabolic Measurements: Glucose in tail blood was measured using a glucometer (O... | - |
| Unchecked | Ki | = | 22000.0 | nM | 4.66 | Metabolic Measurements: Glucose in tail blood was measured using a glucometer (O... | - |
Data from ChEMBL 36 via Core Engine