Compound Detail
CHEMBL316098
N-TERT-BUTYL-AMODIAQUINE 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
Basic Information
| ChEMBL ID | CHEMBL316098 |
| Name | N-TERT-BUTYL-AMODIAQUINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYWWWBAWNCREPS-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
355.9
MW (Da)
5.23
ALogP
4
HBA
3
HBD
57.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.83 | 8.404 | 1.5 | 5 |
| Heme CHEMBL4651321 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1.47 | nM | 8.83 | In vitro inhibitory activity against chloroquine-sensitive Plasmodium falciparum... | 10425085 |
| Plasmodium falciparum | IC50 | = | 3.43 | nM | 8.46 | In vitro inhibitory activity against chloroquine-resistant Plasmodium falciparum... | 10425085 |
| Plasmodium falciparum | IC50 | = | 3.7 | nM | 8.43 | In vitro inhibition of chloroquine-sensitive Plasmodium falciparum HB3 | 9046333 |
| Plasmodium falciparum | IC50 | = | 5.5 | nM | 8.26 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 as... | - |
| Plasmodium falciparum | IC50 | = | 9.1 | nM | 8.04 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 ass... | - |
| Heme | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of heme polymerization in Plasmodium falciparum after 15 min by liqui... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10425085 | 10.1021/jm9901374 | Plasmodium falciparum | 2 |
| - | 10.1007/s00044-007-9025-8 | Plasmodium falciparum | 2 |
| 10425085 | 10.1021/jm9901374 | Unchecked | 1 |
| 9046333 | 10.1021/jm960370r | Plasmodium falciparum | 1 |
| 9046333 | 10.1021/jm960370r | Molecular identity unknown | 1 |
| - | 10.1007/s00044-007-9025-8 | Heme | 1 |
Data from ChEMBL 36 via Core Engine