Compound Detail
CHEMBL4588285
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Basic Information
| ChEMBL ID | CHEMBL4588285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKANOIFOWDBVSH-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
1.48
ALogP
5
HBA
2
HBD
73.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.47
Kd 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Spindlin-1 CHEMBL4523509 | IC50 | 6.47 | 6.3 | 338.0 | 2 |
| Spindlin-1 CHEMBL4523509 | Kd | 6.41 | 6.41 | 390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Spindlin-1 | IC50 | = | 338.0 | nM | 6.47 | Inhibition of biotin-H3(1-23)K4me3 binding to recombinant human C-terminal His6-... | 31260300 |
| Spindlin-1 | Kd | = | 390.0 | nM | 6.41 | Inhibition of recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues... | 31260300 |
| Spindlin-1 | IC50 | = | 741.0 | nM | 6.13 | Inhibition of FL-H3K4me3 binding to recombinant human C-terminal His6-tagged SPI... | 31260300 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31260300 | 10.1021/acs.jmedchem.9b00522 | Spindlin-1 | 3 |
| 31260300 | 10.1021/acs.jmedchem.9b00522 | Histone-lysine N-methyltransferase EHMT1/EHMT2 | 1 |
Data from ChEMBL 36 via Core Engine