Compound Detail
CHEMBL363699
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Basic Information
| ChEMBL ID | CHEMBL363699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSKDODVTPLNVBZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.9
MW (Da)
3.61
ALogP
4
HBA
1
HBD
61.4
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pantothenate kinase 3 CHEMBL3407328 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pantothenate kinase 3 | IC50 | = | 0.7 | nM | 9.15 | Inhibition of human recombinant N-terminal His6-fusion tagged PanK3 expressed in... | 34814071 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15482915 | 10.1016/j.bmcl.2004.09.010 | Transient receptor potential cation channel subfamily V member 1 | 2 |
| 34814071 | 10.1016/j.bmc.2021.116504 | Pantothenate kinase 3 | 1 |
Data from ChEMBL 36 via Core Engine