Compound Detail
CHEMBL5413922
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Basic Information
| ChEMBL ID | CHEMBL5413922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNLWKSRHKZKBQH-DPBGWIHLSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
3.74
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.92
Ki 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 CHEMBL1908389 | Kd | 9.92 | 9.92 | 0.1 | 1 |
| Protein delta homolog 1 CHEMBL5671 | Ki | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 | Kd | = | 0.12 | nM | 9.92 | DLK Kd Determinations: A fusion protein of full length of human DLK (amino acids... | - |
| Protein delta homolog 1 | Ki | = | 15.0 | nM | 7.82 | Binding affinity to DLK (unknown origin) assessed as inhibition constant | 37098296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37098296 | 10.1016/j.ejmech.2023.115404 | Protein delta homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine