Compound Detail
CHEMBL330383
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Basic Information
| ChEMBL ID | CHEMBL330383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDSOIRUIKYGAHY-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
1
PK Parameters
11
Publications
0
Known Names
Molecular Properties
315.5
MW (Da)
4.08
ALogP
4
HBA
2
HBD
60.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Histidine-rich protein PFHRP-II CHEMBL1923 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.54 | 5.54 | 2900.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 0.61 | 10'5/M | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 100.0 | nM | 7.0 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 inf... | 17562796 |
| Histidine-rich protein PFHRP-II | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of beta-hematin formation after 16 hrs | 17562796 |
| Unchecked | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of beta-hematin formation | 21172735 |
| Unchecked | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of beta-hematin formation | 22483965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14711300 | 10.1021/jm0304562 | Mus musculus | 6 |
| 17562796 | 10.1128/aac.00288-07 | ADMET | 3 |
| 17562796 | 10.1128/aac.00288-07 | Unchecked | 2 |
| 14711300 | 10.1021/jm0304562 | Plasmodium falciparum | 1 |
| 17562796 | 10.1128/aac.00288-07 | Plasmodium falciparum | 1 |
| 17562796 | 10.1128/aac.00288-07 | Histidine-rich protein PFHRP-II | 1 |
| 20466465 | 10.1016/j.ejmech.2010.04.011 | Plasmodium falciparum | 1 |
| 20466465 | 10.1016/j.ejmech.2010.04.011 | Plasmodium berghei | 1 |
| 21172735 | 10.1016/j.bmc.2010.11.036 | Unchecked | 1 |
| 22483965 | 10.1016/j.ejmech.2012.03.019 | Unchecked | 1 |
| 28800458 | 10.1016/j.ejmech.2017.07.061 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine