Compound Detail
CHEMBL4528213
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Basic Information
| ChEMBL ID | CHEMBL4528213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFGMYCVKXBHDEV-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
4.54
ALogP
5
HBA
1
HBD
60.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.81
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Spindlin-1 CHEMBL4523509 | Kd | 7.81 | 7.42 | 15.4 | 2 |
| Spindlin-1 CHEMBL4523509 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Spindlin-1 | Kd | = | 15.4 | nM | 7.81 | Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expr... | 31550156 |
| Spindlin-1 | Kd | = | 94.0 | nM | 7.03 | Binding affinity to human His-tagged SPIN1 (21 to 262 residues) expressed in Esc... | 31550156 |
| Spindlin-1 | IC50 | = | 360.0 | nM | 6.44 | Displacement of trimethylated biotinylated histone H3 peptide from recombinant h... | 31550156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31550156 | 10.1021/acs.jmedchem.9b00562 | Spindlin-1 | 5 |
| 31550156 | 10.1021/acs.jmedchem.9b00562 | Histone-lysine N-methyltransferase EHMT2 | 1 |
| 31550156 | 10.1021/acs.jmedchem.9b00562 | U2OS | 1 |
Data from ChEMBL 36 via Core Engine