Compound Detail
CHEMBL5572612
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COc1cc2c(NC3CCN(C(C)C)CC3)cc(NCCCN(C)C)nc2cc1OCCCN1Cc2ccccc2C1
Basic Information
| ChEMBL ID | CHEMBL5572612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVWAGELEKOTHHW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
574.8
MW (Da)
5.68
ALogP
8
HBA
2
HBD
65.1
PSA (Ų)
0.24
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.71
Kd 1 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Spindlin-1 CHEMBL4523509 | Kd | 7.47 | 7.47 | 34.0 | 1 |
| Spindlin-1 CHEMBL4523509 | IC50 | 6.71 | 6.71 | 197.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Spindlin-1 | Kd | = | 34.0 | nM | 7.47 | Binding affinity to human N-terminal His10 tagged SPIN1 (G21 to S262 residues) e... | 38533580 |
| Spindlin-1 | IC50 | = | 197.0 | nM | 6.71 | Displacement of FL-H3K4me3 peptide from human N-terminal His10 tagged SPIN1 (G21... | 38533580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38533580 | 10.1021/acs.jmedchem.4c00121 | Spindlin-1 | 2 |
Data from ChEMBL 36 via Core Engine