Compound Detail
CHEMBL388768
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Basic Information
| ChEMBL ID | CHEMBL388768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUDNAOHCIDAARE-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
2.58
ALogP
4
HBA
4
HBD
125.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.29
Ki 3 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.65 | 7.65 | 22.6 | 1 |
| L6 CHEMBL614793 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Glandular kallikrein CHEMBL3243909 | Ki | 5.05 | 5.05 | 8910.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.96 | 4.96 | 11100.0 | 1 |
| Prothrombin CHEMBL4471 | Ki | 4.18 | 4.18 | 66200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 5.1 | nM | 8.29 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense | 17439202 |
| Plasmodium falciparum | IC50 | = | 22.6 | nM | 7.65 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | 17439202 |
| L6 | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against rat L6 cells | 17439202 |
| Glandular kallikrein | Ki | = | 8910.0 | nM | 5.05 | Competitive reversible inhibition of porcine pancreatic kallikrein using alpha-N... | 671460 |
| Unchecked | Ki | = | 11100.0 | nM | 4.96 | Competitive reversible inhibition of bovine trypsin using alpha-N-benzoyl-DL-arg... | 671460 |
| Prothrombin | Ki | = | 66200.0 | nM | 4.18 | Competitive reversible inhibition of bovine thrombin using alpha-N-benzoyl-DL-ar... | 671460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17439202 | 10.1021/jm0612867 | NON-PROTEIN TARGET | 4 |
| 19786604 | 10.1128/aac.00422-09 | Trypanosoma evansi | 3 |
| 19635954 | 10.1128/aac.01709-08 | Bacillus anthracis | 2 |
| 671460 | 10.1021/jm00205a005 | Plasma | 2 |
| 17439202 | 10.1021/jm0612867 | Trypanosoma brucei rhodesiense | 1 |
| 17439202 | 10.1021/jm0612867 | Plasmodium falciparum | 1 |
| 17439202 | 10.1021/jm0612867 | L6 | 1 |
| 17439202 | 10.1021/jm0612867 | Unchecked | 1 |
| 671460 | 10.1021/jm00205a005 | Glandular kallikrein | 1 |
| 671460 | 10.1021/jm00205a005 | Unchecked | 1 |
| 671460 | 10.1021/jm00205a005 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine