Compound Detail
CHEMBL5959887
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C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@]13C[C@@]14CC[C@@]1(C)CCC(C)(C)C[C@]15C[C@]54CC[C@@]23C
Basic Information
| ChEMBL ID | CHEMBL5959887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVUKEPJWWTWQAX-HLXBWPQESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
422.7
MW (Da)
7.97
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2000.0 | nM | 5.7 | Metabolic Measurements: Glucose in tail blood was measured using a glucometer (O... | - |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 4000.0 | nM | 5.4 | Metabolic Measurements: Glucose in tail blood was measured using a glucometer (O... | - |
Data from ChEMBL 36 via Core Engine