Compound Detail
CHEMBL95286
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Basic Information
| ChEMBL ID | CHEMBL95286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAQGKXUEKGKTKX-HOTGVXAUSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
0.78
ALogP
5
HBA
5
HBD
132.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
EC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine--tRNA ligase, cytoplasmic CHEMBL3179 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Solute carrier family 15 member 1 CHEMBL4605 | EC50 | 4.22 | 4.22 | 60000.0 | 1 |
| Solute carrier family 15 member 1 CHEMBL4605 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine--tRNA ligase, cytoplasmic | IC50 | = | 3800.0 | nM | 5.42 | Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthet... | 10522706 |
| Solute carrier family 15 member 1 | EC50 | = | 60000.0 | nM | 4.22 | Activation of human PEPT1 expressed in MDCK cells | 16759105 |
| Solute carrier family 15 member 1 | IC50 | = | 60000.0 | nM | 4.22 | Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in... | 16759105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759105 | 10.1021/jm0511029 | Solute carrier family 15 member 1 | 4 |
| 10522706 | 10.1016/s0960-894x(99)00488-6 | Tyrosine--tRNA ligase, cytoplasmic | 1 |
Data from ChEMBL 36 via Core Engine