Compound Detail
CHEMBL112481
VERAGUENSIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL112481 |
| Name | VERAGUENSIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLJAVUZBHSLLJL-SRLQQUAWSA-N |
4
Targets
5
Activities
3
Assay Types
0
PK Parameters
7
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
EC50 2 meas. best 5.64
IC50 2 meas. best 6.0
Ki 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL250 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 5.64 | 5.605 | 2300.0 | 2 |
| BV-2 CHEMBL614781 | IC50 | 4.32 | 4.32 | 48380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory concentration required to inhibit PAF binding to rabbit platelet memb... | - |
| Platelet-activating factor receptor | Ki | = | 1000.0 | nM | 6.0 | Inhibition of the binding of [3H]C18-Platelet activating factor to human platele... | 1404229 |
| Trypanosoma cruzi | EC50 | = | 2300.0 | nM | 5.64 | Antitrypanosomal activity against Trypanosoma cruzi Y trypomastigotes assessed a... | 28926763 |
| Trypanosoma cruzi | EC50 | = | 2670.0 | nM | 5.57 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen trypomastigotes exp... | 28926763 |
| BV-2 | IC50 | = | 48380.0 | nM | 4.32 | Anti-neuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS... | 21936523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21936523 | 10.1021/np200541m | BV-2 | 2 |
| 28926763 | 10.1016/j.ejmech.2017.08.064 | Trypanosoma cruzi | 2 |
| 1404229 | 10.1021/jm00097a005 | Platelet-activating factor receptor | 1 |
| - | 10.1016/S0960-894X(01)80818-0 | Platelet-activating factor receptor | 1 |
| 21936523 | 10.1021/np200541m | A549 | 1 |
| 21936523 | 10.1021/np200541m | SK-OV-3 | 1 |
| 21936523 | 10.1021/np200541m | SK-MEL-2 | 1 |
Data from ChEMBL 36 via Core Engine