Compound Detail
CHEMBL4281134
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Basic Information
| ChEMBL ID | CHEMBL4281134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKIMKKQDISEGGT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
453.9
MW (Da)
5.80
ALogP
6
HBA
1
HBD
56.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Leishmania major CHEMBL612879 | EC50 | 5.03 | 5.03 | 9400.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.51 | 4.51 | 30700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 3400.0 | nM | 5.47 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 after 48 hrs by ... | 30344906 |
| Plasmodium falciparum | EC50 | = | 5900.0 | nM | 5.23 | Antimalarial activity against Plasmodium falciparum D6 trophozoites after 72 hrs... | 30344906 |
| Leishmania major | EC50 | = | 9400.0 | nM | 5.03 | Antileishmanial activity against Leishmania major intracellular amastigotes harb... | 30344906 |
| Trypanosoma cruzi | EC50 | = | 30700.0 | nM | 4.51 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen intracellular amast... | 30344906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30344906 | 10.1021/acsmedchemlett.8b00245 | Unchecked | 4 |
| 30344906 | 10.1021/acsmedchemlett.8b00245 | Trypanosoma brucei brucei | 2 |
| 30344906 | 10.1021/acsmedchemlett.8b00245 | HepG2 | 1 |
| 30344906 | 10.1021/acsmedchemlett.8b00245 | Trypanosoma cruzi | 1 |
| 30344906 | 10.1021/acsmedchemlett.8b00245 | NIH3T3 | 1 |
| 30344906 | 10.1021/acsmedchemlett.8b00245 | Leishmania major | 1 |
| 30344906 | 10.1021/acsmedchemlett.8b00245 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine