Compound Detail
CHEMBL379989
RHIZOXIN Enter ChEMBL ID:
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CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H]2C[C@H](CC(=O)O2)C[C@@H]2O[C@H]2C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL379989 |
| Name | RHIZOXIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWPCHSCAPHNHAV-QIPOKPRISA-N |
5
Targets
6
Activities
1
Assay Types
2
PK Parameters
16
Publications
0
Known Names
Molecular Properties
625.8
MW (Da)
5.05
ALogP
10
HBA
1
HBD
133.2
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.82 | 5.995 | 150.0 | 2 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Raji CHEMBL614628 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 24.0 | hr | - |
| t1/2 | - | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 150.0 | nM | 6.82 | Antitrypanosomal activity against Trypanosoma brucei brucei after 48 hrs by lumi... | 20129783 |
| Unchecked | IC50 | = | 150.0 | nM | 6.82 | Inhibition of Trypanosoma brucei brucei tubulin polymerization | 20129783 |
| Raji | IC50 | = | 340.0 | nM | 6.47 | Cytotoxicity against human Raji cells after 72 hrs by luminescence assay | 20129783 |
| HEK293 | IC50 | = | 350.0 | nM | 6.46 | Cytotoxicity against HEK293 cells after 72 hrs by luminescence assay | 20129783 |
| HepG2 | IC50 | = | 400.0 | nM | 6.4 | Cytotoxicity against human HepG2 cells after 72 hrs by luminescence assay | 20129783 |
| Unchecked | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of goat brain tubulin polymerization incubated for 20 mins prior to G... | 23445405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20385871 | 10.1128/aac.00153-10 | Cryptococcus bacillisporus | 19 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 20129783 | 10.1016/j.bmcl.2010.01.009 | Unchecked | 6 |
| 20129783 | 10.1016/j.bmcl.2010.01.009 | ADMET | 4 |
| 20129783 | 10.1016/j.bmcl.2010.01.009 | Trypanosoma brucei brucei | 3 |
| 16870433 | 10.1016/j.bmcl.2006.06.091 | Tubulin | 1 |
| 20129783 | 10.1016/j.bmcl.2010.01.009 | No relevant target | 1 |
| 20129783 | 10.1016/j.bmcl.2010.01.009 | HEK293 | 1 |
| 20129783 | 10.1016/j.bmcl.2010.01.009 | Raji | 1 |
| 20129783 | 10.1016/j.bmcl.2010.01.009 | HepG2 | 1 |
| 20129783 | 10.1016/j.bmcl.2010.01.009 | BJ | 1 |
| 20129783 | 10.1016/j.bmcl.2010.01.009 | Prostaglandin G/H synthase 1 | 1 |
| 20129783 | 10.1016/j.bmcl.2010.01.009 | Prostaglandin G/H synthase 2 | 1 |
| 20129783 | 10.1016/j.bmcl.2010.01.009 | Mus musculus | 1 |
| 23445405 | 10.1021/jm3009629 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine