Compound Detail
CHEMBL5288063
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Basic Information
| ChEMBL ID | CHEMBL5288063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWYYYYAFACTHMV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
317.3
MW (Da)
2.10
ALogP
3
HBA
5
HBD
141.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingomyelin phosphodiesterase CHEMBL2760 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of rat brain aSMase using HMU-PC as substrate incubated for 3 hrs by ... | 33395289 |
| Sphingomyelin phosphodiesterase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of ASM (unknown origin) | 38888140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33395289 | 10.1021/acs.jmedchem.0c01664 | Unchecked | 1 |
| 38888140 | 10.1021/acs.jmedchem.4c00831 | Sphingomyelin phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine