Compound Detail
CHEMBL14285
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Basic Information
| ChEMBL ID | CHEMBL14285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SATMZMMKDDTOSQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
198.2
MW (Da)
2.73
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Serine/threonine-protein kinase haspin CHEMBL1075163 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 90.0 | nM | 7.05 | Inhibition of human recombinant full length GST-tagged DYRK1A expressed in bacul... | 29985601 |
| Serine/threonine-protein kinase haspin | IC50 | = | 770.0 | nM | 6.11 | Inhibition of HASPIN (unknown origin) | 34332400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 29985601 | 10.1021/acs.jmedchem.8b00185 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| 34954591 | 10.1016/j.ejmech.2021.114057 | Alternaria solani | 1 |
| 34954591 | 10.1016/j.ejmech.2021.114057 | Bipolaris maydis | 1 |
| 34332400 | 10.1016/j.ejmech.2021.113688 | Serine/threonine-protein kinase haspin | 1 |
Data from ChEMBL 36 via Core Engine