Compound Detail
CHEMBL5594627
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Basic Information
| ChEMBL ID | CHEMBL5594627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJRRWLVKNLMRSA-UHFFFAOYSA-N |
4
Targets
6
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
4.00
ALogP
8
HBA
1
HBD
66.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 7.52
EC50 1 meas. best 5.96
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Spindlin-1 CHEMBL4523509 | Kd | 7.52 | 7.52 | 30.0 | 1 |
| Spindlin-1 CHEMBL4523509 | IC50 | 6.7 | 6.7 | 202.0 | 1 |
| Spindlin-2B CHEMBL4523440 | Kd | 6.25 | 6.25 | 560.0 | 1 |
| Spindlin-4 CHEMBL4523321 | Kd | 6.15 | 6.15 | 710.0 | 1 |
| Spindlin-1 CHEMBL4523509 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Spindlin-3 CHEMBL4523325 | Kd | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Spindlin-1 | Kd | = | 30.0 | nM | 7.52 | Binding affinity to human N-terminal His10 tagged SPIN1 (G21 to S262 residues) e... | 38533580 |
| Spindlin-1 | IC50 | = | 202.0 | nM | 6.7 | Displacement of FL-H3K4me3 peptide from human N-terminal His10 tagged SPIN1 (G21... | 38533580 |
| Spindlin-2B | Kd | = | 560.0 | nM | 6.25 | Binding affinity to human N-terminal His6 tagged SPIN2B (P45 to S258 residues) e... | 38533580 |
| Spindlin-4 | Kd | = | 710.0 | nM | 6.15 | Binding affinity to human N-terminal His6 tagged SPIN4 (T36 to P249 residues) ex... | 38533580 |
| Spindlin-1 | EC50 | = | 1100.0 | nM | 5.96 | Displacement of Histone H3 peptide from N-terminal Nanoluciferase fusion of full... | 38533580 |
| Spindlin-3 | Kd | = | 1400.0 | nM | 5.85 | Binding affinity to human N-terminal His6 tagged SPIN3 (M27 to S258 residues) ex... | 38533580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Unchecked | 4 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Spindlin-1 | 3 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | ADMET | 2 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Histone-lysine N-methyltransferase EHMT2 | 2 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Histone-lysine N-methyltransferase EHMT1 | 2 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | N-lysine methyltransferase KMT5A | 1 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Spindlin-4 | 1 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Protein arginine N-methyltransferase 3 | 1 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Protein arginine N-methyltransferase 1 | 1 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Histone-lysine N-methyltransferase KMT5C | 1 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Histone-lysine N-methyltransferase KMT5B | 1 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Histone-lysine N-methyltransferase SMYD3 | 1 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | N-lysine methyltransferase SMYD2 | 1 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Histone-lysine N-methyltransferase SETDB1 | 1 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Histone-lysine N-methyltransferase SETD7 | 1 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Histone-lysine N-methyltransferase SETD2 | 1 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Histone-lysine N-methyltransferase 2C | 1 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Histone-lysine N-methyltransferase 2A | 1 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Histone-lysine N-methyltransferase PRDM9 | 1 |
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Histone-lysine N-methyltransferase SUV39H2 | 1 |
Data from ChEMBL 36 via Core Engine