Compound Detail
CHEMBL418309
GALGRAVIN Enter ChEMBL ID:
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COc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC
Basic Information
| ChEMBL ID | CHEMBL418309 |
| Name | GALGRAVIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLJAVUZBHSLLJL-DQEHQXCCSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
4.81
ALogP
5
HBA
0
HBD
46.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.36
EC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 4400.0 | nM | 5.36 | Antitrypanosomal activity against Trypanosoma cruzi Y trypomastigotes infected i... | 14738383 |
| Platelet-activating factor receptor | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of PAF receptor binding to rabbit platelet plasma membranes | 3020247 |
| Human immunodeficiency virus 1 | EC50 | = | 7700.0 | nM | 5.11 | Antiviral activity against HIV1 3B in human C8166 cells assessed as inhibition o... | 19413342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28333453 | 10.1021/acs.jnatprod.7b00035 | SH-SY5Y | 5 |
| 14738383 | 10.1021/np0302697 | Trypanosoma cruzi | 4 |
| 3020247 | 10.1021/jm00160a020 | Platelet-activating factor receptor | 1 |
| 19413342 | 10.1021/np900123z | Unchecked | 1 |
| 19413342 | 10.1021/np900123z | Human immunodeficiency virus 1 | 1 |
| 19413342 | 10.1021/np900123z | C8166 | 1 |
Data from ChEMBL 36 via Core Engine