Compound Detail
CHEMBL5571889
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Basic Information
| ChEMBL ID | CHEMBL5571889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJGOWJFFRDFGEE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
2.79
ALogP
8
HBA
2
HBD
115.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myelin transcription factor 1 CHEMBL2331044 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| HCC1569 CHEMBL1075456 | IC50 | 5.75 | 5.75 | 1780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myelin transcription factor 1 | IC50 | = | 5.8 | nM | 8.24 | Inhibition of human recombinant MYT1 incubated for 60 mins in presence of tracer... | 38146659 |
| Cyclin-dependent kinase 1 | IC50 | = | 660.0 | nM | 6.18 | Inhibition of CDK1 phosphorylation at Thr14 residue in human HCC1569 cells incub... | 38146659 |
| HCC1569 | IC50 | = | 1780.0 | nM | 5.75 | Antiproliferative activity against human HCC1569 cells assessed as inhibition of... | 38146659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38146659 | 10.1021/acs.jmedchem.3c01476 | Myelin transcription factor 1 | 1 |
| 38146659 | 10.1021/acs.jmedchem.3c01476 | Wee1-like protein kinase | 1 |
| 38146659 | 10.1021/acs.jmedchem.3c01476 | Cyclin-dependent kinase 1 | 1 |
| 38146659 | 10.1021/acs.jmedchem.3c01476 | HCC1569 | 1 |
Data from ChEMBL 36 via Core Engine