Compound Detail
CHEMBL1644098
GUAIANOLIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1644098 |
| Name | GUAIANOLIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKXYOUKPVUIPFP-HTZLXXLYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
1.33
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.24
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 5.24 | 4.7167 | 5700.0 | 3 |
| RAW264.7 CHEMBL612557 | IC50 | 4.57 | 4.57 | 26800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 5700.0 | nM | 5.24 | Antitrypanosomal activity against trypomastigote form of Trypanosoma cruzi asses... | 30234295 |
| Trypanosoma cruzi | EC50 | = | 18100.0 | nM | 4.74 | Antitrypanosomal activity against epimastigote form of Trypanosoma cruzi assesse... | 30234295 |
| RAW264.7 | IC50 | = | 26800.0 | nM | 4.57 | Antiinflammatory action in mouse RAW264.7 cells assessed as inhibition of LPS-in... | 21894898 |
| Trypanosoma cruzi | EC50 | = | 67000.0 | nM | 4.17 | Antitrypanosomal activity against intracellular Trypanosoma cruzi amastigote ass... | 30234295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21109433 | 10.1016/j.bmcl.2010.10.138 | MCF7 | 3 |
| 30234295 | 10.1021/acs.jnatprod.8b00159 | Trypanosoma cruzi | 3 |
| 21894898 | 10.1021/np200319x | RAW264.7 | 2 |
Data from ChEMBL 36 via Core Engine