Compound Detail
CHEMBL447553
DIHYDRODISCORHABDIN C Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL447553 |
| Name | DIHYDRODISCORHABDIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYSBSZHLMZJQFU-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
465.1
MW (Da)
2.72
ALogP
4
HBA
3
HBD
77.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.89 | 6.83 | 130.0 | 2 |
| HCT-116 CHEMBL394 | IC50 | 6.49 | 6.49 | 323.0 | 1 |
| Vero CHEMBL391 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
| Staphylococcus aureus CHEMBL352 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.7 | 4.7 | 20200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 130.0 | nM | 6.89 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 ass... | 20337497 |
| Plasmodium falciparum | IC50 | = | 170.0 | nM | 6.77 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 ass... | 20337497 |
| HCT-116 | IC50 | = | 323.0 | nM | 6.49 | Cytotoxicity against human HCT116 cells after 72 hrs by MTS assay | 15332840 |
| Vero | IC50 | = | 9800.0 | nM | 5.01 | Cytotoxicity against african green monkey Vero cells by neutral red assay | 20337497 |
| Staphylococcus aureus | IC50 | = | 13000.0 | nM | 4.89 | Antibacterial activity against methicillin-resistant Staphylococcus aureus by mo... | 20337497 |
| K562 | IC50 | = | 20200.0 | nM | 4.7 | Cytotoxicity against human K562 cells assessed as viable cells after 72 hrs by M... | 20055495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20337497 | 10.1021/np900281r | Mus musculus | 6 |
| 19916528 | 10.1021/np900287e | Endothelin-1 receptor | 2 |
| 19916528 | 10.1021/np900287e | Neuropeptide Y receptor type 1 | 2 |
| 20337497 | 10.1021/np900281r | Mycobacterium tuberculosis | 2 |
| 20337497 | 10.1021/np900281r | Mycobacterium intracellulare | 2 |
| 20337497 | 10.1021/np900281r | Staphylococcus aureus | 2 |
| 20337497 | 10.1021/np900281r | Unchecked | 2 |
| 20337497 | 10.1021/np900281r | Plasmodium falciparum | 2 |
| 20337497 | 10.1021/np900281r | Vero | 1 |
| 20337497 | 10.1021/np900281r | ADMET | 1 |
| 20055495 | 10.1021/np9005629 | K562 | 1 |
| 20055495 | 10.1021/np9005629 | Salmonella enterica | 1 |
| 20055495 | 10.1021/np9005629 | Proteus vulgaris | 1 |
| 20055495 | 10.1021/np9005629 | Escherichia coli | 1 |
| 20055495 | 10.1021/np9005629 | Staphylococcus aureus | 1 |
| 20055495 | 10.1021/np9005629 | Micrococcus luteus | 1 |
| 20055495 | 10.1021/np9005629 | Bacillus subtilis | 1 |
| 20055495 | 10.1021/np9005629 | Sortase A | 1 |
| 20337497 | 10.1021/np900281r | Hepatitis C virus | 1 |
| 15332840 | 10.1021/np034084b | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine