Compound Detail
CHEMBL5565596
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Basic Information
| ChEMBL ID | CHEMBL5565596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRQHLYUJXMBAOL-IBGZPJMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
483.0
MW (Da)
4.66
ALogP
6
HBA
1
HBD
85.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine palmitoyltransferase 2 CHEMBL1250344 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Serine palmitoyltransferase 3 CHEMBL6066332 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine palmitoyltransferase 2 | IC50 | = | 0.8 | nM | 9.1 | Inhibition of SPTLC2 (unknown origin) | 38621327 |
| Serine palmitoyltransferase 3 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of SPTLC3 (unknown origin) | 38621327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38621327 | 10.1016/j.ejmech.2024.116408 | Serine palmitoyltransferase 2 | 1 |
| 38621327 | 10.1016/j.ejmech.2024.116408 | Serine palmitoyltransferase 3 | 1 |
Data from ChEMBL 36 via Core Engine