Compound Detail
CHEMBL5771524
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Basic Information
| ChEMBL ID | CHEMBL5771524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBGNURMASUAQFL-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
3.03
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 9.36
Ki 3 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Microtubule-associated protein tau CHEMBL1293224 | Kd | 9.36 | 9.36 | 0.4 | 1 |
| Alpha-synuclein CHEMBL6152 | Kd | 9.28 | 9.28 | 0.5 | 2 |
| Microtubule-associated protein tau CHEMBL1293224 | Ki | 8.34 | 8.34 | 4.6 | 1 |
| Alpha-synuclein CHEMBL6152 | Ki | 8.33 | 8.33 | 4.7 | 1 |
| Unchecked CHEMBL612545 | Kd | 7.93 | 7.93 | 11.8 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.61 | 7.61 | 24.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Microtubule-associated protein tau | Kd | = | 0.44 | nM | 9.36 | In Vitro Direct Determination By Fluorescence: Table 6 & 7: Fresh solutions of e... | - |
| Alpha-synuclein | Kd | = | 0.53 | nM | 9.28 | In Vitro Direct Determination By Fluorescence: Table 6 & 7: Fresh solutions of e... | - |
| Alpha-synuclein | Kd | = | 0.53 | nM | 9.28 | In Vitro Direct Determination By Fluorescence: Table 6 & 7: Fresh solutions of e... | - |
| Microtubule-associated protein tau | Ki | = | 4.61 | nM | 8.34 | In Vitro Inhibition Assay: Table 5: Fresh solutions of the test compounds (2.5 m... | - |
| Alpha-synuclein | Ki | = | 4.7 | nM | 8.33 | In Vitro Inhibition Assay: Table 5: Fresh solutions of the test compounds (2.5 m... | - |
| Unchecked | Kd | = | 11.8 | nM | 7.93 | In Vitro Direct Determination By Fluorescence: Table 6 & 7: Fresh solutions of e... | - |
| Unchecked | Ki | = | 24.5 | nM | 7.61 | In Vitro Inhibition Assay: Table 5: Fresh solutions of the test compounds (2.5 m... | - |
Data from ChEMBL 36 via Core Engine