Compound Detail
CHEMBL75773
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Basic Information
| ChEMBL ID | CHEMBL75773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPTYCYWTFGTCCG-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
0.83
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.37
Ki 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Protein kinase C (PKC) CHEMBL2093867 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4300.0 | nM | 5.37 | Antimalarial activity against drug-resistant Plasmodium falciparum W2 | 17588749 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of cAMP-dependent protein kinase (PKA). | 1992155 |
| Protein kinase C (PKC) | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of protein kinase C (PKC) | 1992155 |
| Adenosine receptor A3 | Ki | = | 25000.0 | nM | 4.6 | Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I... | 8691424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17588749 | 10.1016/j.bmcl.2007.06.032 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 8691424 | 10.1021/jm950923i | Adenosine receptor A3 | 1 |
| 1992155 | 10.1021/jm00105a012 | Protein kinase C (PKC) | 1 |
| 1992155 | 10.1021/jm00105a012 | cAMP-dependent protein kinase (PKA) | 1 |
| 17588749 | 10.1016/j.bmcl.2007.06.032 | Protein kinase Pfmrk | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine