Compound Detail
CHEMBL121092
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Basic Information
| ChEMBL ID | CHEMBL121092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEIOPGPLZVQXDP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.43
ALogP
4
HBA
1
HBD
72.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | IC50 | 6.54 | 6.54 | 287.0 | 1 |
| Pantothenate kinase 3 CHEMBL3407328 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 287.0 | nM | 6.54 | Vanilloid receptor subtype 1 antagonist activity based on its ability to block c... | 14505681 |
| Pantothenate kinase 3 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of human recombinant N-terminal His6-fusion tagged PanK3 expressed in... | 34814071 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505681 | 10.1016/s0960-894x(03)00759-5 | 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