Compound Detail
CHEMBL5816719
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COC[C@]12CC[C@@H](C)[C@H](C)[C@H]1[C@@]1(O)C=C[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Basic Information
| ChEMBL ID | CHEMBL5816719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQYPHCMLIZHTPW-LWIDLGQCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
470.7
MW (Da)
6.83
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 15000.0 | nM | 4.82 | Metabolic Measurements: Glucose in tail blood was measured using a glucometer (O... | - |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 15000.0 | nM | 4.82 | Metabolic Measurements: Glucose in tail blood was measured using a glucometer (O... | - |
Data from ChEMBL 36 via Core Engine