Compound Detail
CHEMBL501777
NEOQUASSIN ETHER Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL501777 |
| Name | NEOQUASSIN ETHER |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZFKSZFIIZCUML-OUGOGOMJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
762.9
MW (Da)
6.27
ALogP
11
HBA
0
HBD
132.9
PSA (Ų)
0.30
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 9700.0 | nM | 5.01 | 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