Compound Detail
CHEMBL461393
QUASSILACTONE 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
COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@]43C
Basic Information
| ChEMBL ID | CHEMBL461393 |
| Name | QUASSILACTONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLAUFERERFJAAU-PQUVDFDKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
2.43
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 23000.0 | nM | 4.64 | Cytotoxicity against human KB cells by microplate method | 14640524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640524 | 10.1021/np030107a | Plasmodium falciparum | 1 |
| 14640524 | 10.1021/np030107a | KB | 1 |
| 14640524 | 10.1021/np030107a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine