Compound Detail
CHEMBL445477
PHAEANTHINE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3
Basic Information
| ChEMBL ID | CHEMBL445477 |
| Name | PHAEANTHINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVTKBKWTSCPRNU-LOYHVIPDSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
1
Known Names
Molecular Properties
622.8
MW (Da)
7.16
ALogP
8
HBA
0
HBD
61.9
PSA (Ų)
0.24
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 CHEMBL1907611 | IC50 | 6.75 | 6.75 | 179.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.52 | 6.41 | 305.0 | 2 |
| U-937 CHEMBL612794 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 | IC50 | = | 179.0 | nM | 6.75 | Inhibition of MDM2/p53 interaction (unknown origin) | 38295689 |
| Plasmodium falciparum | IC50 | = | 305.0 | nM | 6.52 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D6 i... | 9917283 |
| Plasmodium falciparum | IC50 | = | 498.0 | nM | 6.3 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 i... | 9917283 |
| U-937 | IC50 | = | 50000.0 | nM | 4.3 | Cytotoxicity against human U937 cells after 24 hrs by alamar blue assay | 22766217 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22766217 | 10.1016/j.bmc.2012.06.017 | U-937 | 4 |
| 9917283 | 10.1021/np980144f | Plasmodium falciparum | 2 |
| 9917283 | 10.1021/np980144f | Unchecked | 2 |
| 1955879 | 10.1021/np50075a001 | Plasmodium falciparum | 1 |
| 9917283 | 10.1021/np980144f | KB | 1 |
| - | 10.1007/s00044-011-9767-1 | Entamoeba histolytica | 1 |
| 38295689 | 10.1016/j.ejmech.2023.116117 | Tumour suppressor p53/oncoprotein Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine