Compound Detail
CHEMBL236036
PHYTOSPHINGOSINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL236036 |
| Name | PHYTOSPHINGOSINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AERBNCYCJBRYDG-KSZLIROESA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
317.5
MW (Da)
3.12
ALogP
4
HBA
4
HBD
86.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.43
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 5.43 | 5.3175 | 3750.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 3750.0 | nM | 5.43 | Inhibition of wild type human Jurkat cells after 18 hrs by MTT assay | 17400555 |
| Jurkat | IC50 | = | 4120.0 | nM | 5.38 | Inhibition of human 2-amino-4-(4-heptyloxyphenyl)-2-methylbutanol-resistant huma... | 17400555 |
| Jurkat | IC50 | = | 5290.0 | nM | 5.28 | Inhibition of 2-amino-4-(4-heptyloxyphenyl)-2-methylbutanol-resistant human Jurk... | 17400555 |
| Jurkat | IC50 | = | 6570.0 | nM | 5.18 | Inhibition of 2-amino-4-(4-heptyloxyphenyl)-2-methylbutanol-resistant human Jurk... | 17400555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17400555 | 10.1074/jbc.m609124200 | Jurkat | 7 |
| 18524581 | 10.1016/j.bmcl.2008.05.067 | Candida albicans | 3 |
| 19525967 | 10.1038/nchembio.191 | Endoglycoceramidase II | 3 |
| 17920885 | 10.1016/j.bmcl.2007.09.037 | Jurkat | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 18524581 | 10.1016/j.bmcl.2008.05.067 | Nakaseomyces glabratus | 1 |
| 19525967 | 10.1038/nchembio.191 | Unchecked | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine