Compound Detail
CHEMBL577540
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Basic Information
| ChEMBL ID | CHEMBL577540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQMSVYBEWIJZAD-QPJJXVBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.8
MW (Da)
4.13
ALogP
4
HBA
2
HBD
53.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | Ki | 6.69 | 6.69 | 206.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | Ki | = | 206.0 | nM | 6.69 | Ionization constant for the compound (pKa) | 19643610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19643610 | 10.1016/j.bmcl.2009.07.012 | No relevant target | 1 |
| 19643610 | 10.1016/j.bmcl.2009.07.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine