Compound Detail
CHEMBL1835968
DICHAMANETIN Enter ChEMBL ID:
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O=C1C[C@@H](c2ccccc2)Oc2c(Cc3ccccc3O)c(O)c(Cc3ccccc3O)c(O)c21
Basic Information
| ChEMBL ID | CHEMBL1835968 |
| Name | DICHAMANETIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBZSDBHJYZORRP-VWLOTQADSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
5.40
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.17 | 5.1 | 6700.0 | 2 |
| Cell division protein FtsZ CHEMBL3999 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 200.0 | nM | 6.7 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl alp... | 30835120 |
| Plasmodium falciparum | IC50 | = | 6700.0 | nM | 5.17 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 as... | 32067457 |
| Plasmodium falciparum | IC50 | = | 9300.0 | nM | 5.03 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 as... | 32067457 |
| Cell division protein FtsZ | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of Escherichia coli FtsZ GTPase activity | 25791674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21973101 | 10.1021/np200557e | HT-29 | 2 |
| 30835120 | 10.1021/acs.jnatprod.8b00581 | Unchecked | 2 |
| 32067457 | 10.1021/acs.jnatprod.9b00721 | Plasmodium falciparum | 2 |
| 21973101 | 10.1021/np200557e | Unchecked | 1 |
| 25791674 | 10.1016/j.ejmech.2015.03.026 | Bacillus subtilis | 1 |
| 25791674 | 10.1016/j.ejmech.2015.03.026 | Cell division protein FtsZ | 1 |
| 25791674 | 10.1016/j.ejmech.2015.03.026 | Staphylococcus aureus | 1 |
| 32067457 | 10.1021/acs.jnatprod.9b00721 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine