Compound Detail
CHEMBL5564247
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COc1cc2c(NC3CCN(C(C)C)CC3)cc(NCCN3CCCCC3)nc2cc1OCCCN1Cc2ccccc2C1
Basic Information
| ChEMBL ID | CHEMBL5564247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGFGFXGREZBBOA-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
600.9
MW (Da)
6.21
ALogP
8
HBA
2
HBD
65.1
PSA (Ų)
0.22
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.67
Kd 1 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Spindlin-1 CHEMBL4523509 | Kd | 7.04 | 7.04 | 92.0 | 1 |
| Spindlin-1 CHEMBL4523509 | IC50 | 6.67 | 6.67 | 214.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Spindlin-1 | Kd | = | 92.0 | nM | 7.04 | Binding affinity to human N-terminal His10 tagged SPIN1 (G21 to S262 residues) e... | 38533580 |
| Spindlin-1 | IC50 | = | 214.0 | nM | 6.67 | 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