Compound Detail
CHEMBL576458
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL576458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDWKCRLTHIROFU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
279.8
MW (Da)
2.90
ALogP
4
HBA
3
HBD
56.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | Ki | 6.41 | 6.41 | 391.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | Ki | = | 391.0 | nM | 6.41 | 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