Compound Detail
CHEMBL3613988
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Basic Information
| ChEMBL ID | CHEMBL3613988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWJNXEMHHUQMNT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
3.36
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylcholine:ceramide cholinephosphotransferase 1 CHEMBL3611965 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylcholine:ceramide cholinephosphotransferase 1 | IC50 | = | 10500.0 | nM | 4.98 | Inhibition of sphingomyelin synthase-1 (unknown origin) expressed in HeLa cells ... | 26314925 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26314925 | 10.1016/j.bmc.2015.07.060 | Phosphatidylcholine:ceramide cholinephosphotransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine