Compound Detail
CHEMBL3183133
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Basic Information
| ChEMBL ID | CHEMBL3183133 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEARVXVLEKCISU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
2.81
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 48000.0 | nM | 4.32 | Destabilization of Red-dye-NHS fluorescent-labeled human LDH-1 expressed in Esch... | 35074589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35074589 | 10.1016/j.ejmech.2022.114102 | Unchecked | 6 |
Data from ChEMBL 36 via Core Engine