Compound Detail
CHEMBL252915
SESAMIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL252915 |
| Name | SESAMIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEYUIKBAABKQKQ-AFHBHXEDSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.22
ALogP
6
HBA
0
HBD
55.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
| Neutrophil CHEMBL613710 | IC50 | 4.04 | 4.04 | 90230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of TNFalpha-induced NFkappaB transcriptional activity in human HepG2 ... | 22381047 |
| Neutrophil | IC50 | = | 90230.0 | nM | 4.04 | Inhibition of fMLP-induced superoxide production in human neutrophils | 17559265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37355024 | 10.1016/j.bmcl.2023.129386 | Unchecked | 9 |
| 10395498 | 10.1021/np980471n | NON-PROTEIN TARGET | 8 |
| 22381047 | 10.1016/j.bmcl.2012.01.136 | Unchecked | 5 |
| 22752007 | 10.1124/dmd.112.045906 | ADMET | 4 |
| 22752007 | 10.1124/dmd.112.045906 | Cytochrome P450 2C9 | 4 |
| 22752007 | 10.1124/dmd.112.045906 | Cytochrome P450 1A2 | 3 |
| 19128011 | 10.1021/np800689b | NON-PROTEIN TARGET | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 21345685 | 10.1016/j.bmc.2011.01.059 | Nuclear factor erythroid 2-related factor 2 | 1 |
| 24018191 | 10.1016/j.bmcl.2013.08.065 | HEK293 | 1 |
| 22818971 | 10.1016/j.bmcl.2012.06.068 | Acidic alpha-glucosidase | 1 |
| 22818971 | 10.1016/j.bmcl.2012.06.068 | Unchecked | 1 |
| 22381047 | 10.1016/j.bmcl.2012.01.136 | HepG2 | 1 |
| 17559265 | 10.1021/np070045e | Neutrophil | 1 |
| 21115251 | 10.1016/j.bmc.2010.10.032 | MCF7 | 1 |
| 21115251 | 10.1016/j.bmc.2010.10.032 | HEp-2 | 1 |
| 20218656 | 10.1021/np900674d | Mycobacterium tuberculosis | 1 |
| 521819 | 10.1021/np50005a010 | KB | 1 |
Data from ChEMBL 36 via Core Engine