Compound Detail
CHEMBL508272
SURFACTIN Enter ChEMBL ID:
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CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL508272 |
| Name | SURFACTIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJGWOFRZMQRKHT-WGVNQGGSSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
1036.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| Putative silent information regulator 2 CHEMBL2311240 | IC50 | 4.45 | 4.45 | 35200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 9000.0 | nM | 5.05 | Antiplasmodial activity against Plasmodium falciparum 3D7 assessed as growth inh... | 28241112 |
| Unchecked | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of Plasmodium falciparum Sir2A | 28241112 |
| Putative silent information regulator 2 | IC50 | = | 35200.0 | nM | 4.45 | Inhibition of Leishmania infantum SIR2RP1 | 23220641 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17101680 | 10.1128/aac.01030-06 | NON-PROTEIN TARGET | 5 |
| 17101680 | 10.1128/aac.01030-06 | Unchecked | 1 |
| 11087590 | 10.1021/np000169q | Stachybotrys chartarum | 1 |
| 19734050 | 10.1016/j.bmc.2009.07.073 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 19734050 | 10.1016/j.bmc.2009.07.073 | NAD-dependent protein deacetylase HST2 | 1 |
| 23220641 | 10.1016/j.ejmech.2012.11.014 | Putative silent information regulator 2 | 1 |
| 28241112 | 10.1021/acs.jmedchem.6b01595 | Plasmodium falciparum | 1 |
| 28241112 | 10.1021/acs.jmedchem.6b01595 | Unchecked | 1 |
| 28241112 | 10.1021/acs.jmedchem.6b01595 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
Data from ChEMBL 36 via Core Engine