Compound Detail
CHEMBL467612
HYDROXYNEOQUASSINS Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL467612 |
| Name | HYDROXYNEOQUASSINS |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKTMESQWNPDQGL-XJDHOUHDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
1.58
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 4.17 | 4.17 | 68000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 68000.0 | nM | 4.17 | 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 |
Data from ChEMBL 36 via Core Engine