Compound Detail
CHEMBL5843241
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Basic Information
| ChEMBL ID | CHEMBL5843241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXRXTSVWBPYSMG-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
3.17
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.1
Ki 2 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-synuclein CHEMBL6152 | Kd | 9.1 | 9.1 | 0.8 | 1 |
| Alpha-synuclein CHEMBL6152 | Ki | 7.83 | 7.83 | 14.8 | 1 |
| Unchecked CHEMBL612545 | Kd | 7.78 | 7.78 | 16.8 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.46 | 6.46 | 349.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-synuclein | Kd | = | 0.79 | nM | 9.1 | In Vitro Direct Determination By Fluorescence: Table 6 & 7: Fresh solutions of e... | - |
| Alpha-synuclein | Ki | = | 14.8 | nM | 7.83 | In Vitro Inhibition Assay: Table 5: Fresh solutions of the test compounds (2.5 m... | - |
| Unchecked | Kd | = | 16.8 | nM | 7.78 | In Vitro Direct Determination By Fluorescence: Table 6 & 7: Fresh solutions of e... | - |
| Unchecked | Ki | = | 349.0 | nM | 6.46 | In Vitro Inhibition Assay: Table 5: Fresh solutions of the test compounds (2.5 m... | - |
Data from ChEMBL 36 via Core Engine