Compound Detail
CHEMBL1078089
PARAZOANTHINE C Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1078089 |
| Name | PARAZOANTHINE C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIBAUBRNXIHMBQ-RMLQCRNUSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
0.97
ALogP
4
HBA
4
HBD
120.5
PSA (Ų)
0.20
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.79
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 CHEMBL2107 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| ADMET CHEMBL612558 | EC50 | 5.79 | 5.79 | 1640.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of CXCR4 receptor (unknown origin) | 38879970 |
| ADMET | EC50 | = | 1640.0 | nM | 5.79 | Toxicity against Dysidea avara | 19708637 |
| ADMET | EC50 | = | 1640.0 | nM | 5.79 | Toxicity against Ircinia variabilis | 19708637 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19708637 | 10.1021/np900437y | ADMET | 2 |
| 19708637 | 10.1021/np900437y | MDA-MB-231 | 1 |
| 19708637 | 10.1021/np900437y | HT-29 | 1 |
| 19708637 | 10.1021/np900437y | A549 | 1 |
| 19708637 | 10.1021/np900437y | Plasmodium falciparum | 1 |
| 38879970 | 10.1016/j.ejmech.2024.116594 | C-X-C chemokine receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine