Compound Detail
CHEMBL73634
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Basic Information
| ChEMBL ID | CHEMBL73634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUUYNASTGNDRSQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
0.29
ALogP
2
HBA
6
HBD
123.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.6 | 6.6 | 251.0 | 1 |
| Deoxyhypusine synthase CHEMBL2539 | IC50 | 4.79 | 4.79 | 16100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 251.0 | nM | 6.6 | In vitro antitrypanosomal activity against Trypanosoma brucei rhodesiense | 15084128 |
| Deoxyhypusine synthase | IC50 | = | 16100.0 | nM | 4.79 | In vitro IC50 value by measuring the inhibition of deoxyhypusine synthase. | 7636868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38352828 | 10.1021/acsmedchemlett.3c00460 | Pseudomonas aeruginosa | 6 |
| 38352828 | 10.1021/acsmedchemlett.3c00460 | Klebsiella pneumoniae | 6 |
| 38352828 | 10.1021/acsmedchemlett.3c00460 | Acinetobacter baumannii | 6 |
| 38352828 | 10.1021/acsmedchemlett.3c00460 | Staphylococcus aureus | 4 |
| 38352828 | 10.1021/acsmedchemlett.3c00460 | Escherichia coli | 3 |
| 15084128 | 10.1021/jm031024u | L6 | 2 |
| 38352828 | 10.1021/acsmedchemlett.3c00460 | Enterococcus faecalis | 2 |
| 15084128 | 10.1021/jm031024u | Trypanosoma brucei rhodesiense | 1 |
| 7636868 | 10.1021/jm00016a008 | Deoxyhypusine synthase | 1 |
| 38352828 | 10.1021/acsmedchemlett.3c00460 | Enterococcus faecium | 1 |
Data from ChEMBL 36 via Core Engine