Compound Detail
CHEMBL86537
SPLITOMICIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL86537 |
| Name | SPLITOMICIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISFPDBUKMJDAJH-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
1
PK Parameters
19
Publications
0
Known Names
Molecular Properties
198.2
MW (Da)
2.69
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent histone deacetylase SIR2 CHEMBL3275 | IC50 | 4.22 | 4.175 | 60000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
| NAD-dependent protein deacetylase sirtuin-1 CHEMBL4506 | IC50 | 4.02 | 4.02 | 96200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 7.5 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent histone deacetylase SIR2 | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of yeast Sir 2 protein | 23410798 |
| Unchecked | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of yeast Sir2p HAD activity using [3H]-acetylated histone H4 as subst... | - |
| NAD-dependent histone deacetylase SIR2 | IC50 | = | 74000.0 | nM | 4.13 | In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates | 15115404 |
| NAD-dependent protein deacetylase sirtuin-1 | IC50 | = | 96200.0 | nM | 4.02 | Inhibition of human recombinant SIRT1 by Flour de Lys assay | 20041717 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115404 | 10.1021/jm030473r | NAD-dependent histone deacetylase SIR2 | 4 |
| 20041717 | 10.1021/jm9013345 | Caenorhabditis elegans | 4 |
| 18430569 | 10.1016/j.bmcl.2008.04.007 | Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) | 2 |
| 18430569 | 10.1016/j.bmcl.2008.04.007 | Histone deacetylase 6 | 2 |
| 25818461 | 10.1016/j.bmcl.2015.03.018 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 2 |
| 28241112 | 10.1021/acs.jmedchem.6b01595 | Unchecked | 1 |
| 28241112 | 10.1021/acs.jmedchem.6b01595 | Plasmodium falciparum | 1 |
| 25884115 | 10.1016/j.ejmech.2015.04.008 | NAD-dependent protein deacylase sirtuin-6 | 1 |
| - | 10.1039/C1MD00199J | Unchecked | 1 |
| 23410798 | 10.1016/j.bmcl.2012.12.089 | NAD-dependent histone deacetylase SIR2 | 1 |
| 21306905 | 10.1016/j.bmc.2011.01.025 | U-937 | 1 |
| 20041717 | 10.1021/jm9013345 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 20041717 | 10.1021/jm9013345 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 19734050 | 10.1016/j.bmc.2009.07.073 | NAD-dependent protein deacetylase HST2 | 1 |
| 19734050 | 10.1016/j.bmc.2009.07.073 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 19317450 | 10.1021/jm801654y | Plasmodium falciparum | 1 |
| 19317450 | 10.1021/jm801654y | Histone deacetylase | 1 |
| 18430569 | 10.1016/j.bmcl.2008.04.007 | Histone deacetylase | 1 |
| 15115404 | 10.1021/jm030473r | ADMET | 1 |
Data from ChEMBL 36 via Core Engine