Compound Detail
CHEMBL2435420
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Basic Information
| ChEMBL ID | CHEMBL2435420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCUJEGHLDNDLPJ-DHZHZOJOSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
5.67
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.67
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania tarentolae CHEMBL612915 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.19 | 4.19 | 64400.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.14 | 4.14 | 73000.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.02 | 4.02 | 94700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania tarentolae | IC50 | = | 860.0 | nM | 6.07 | Antiprotozoal activity against promastigote form of Leishmania tarentolae P10 as... | 23968432 |
| Leishmania donovani | IC50 | = | 23000.0 | nM | 4.64 | Antiprotozoal activity against axenic amastigote form of Leishmania donovani MHO... | 23968432 |
| L6 | IC50 | = | 64400.0 | nM | 4.19 | Cytotoxicity against rat L6 cells | 23968432 |
| Trypanosoma cruzi | IC50 | = | 73000.0 | nM | 4.14 | Antiprotozoal activity against intracellular amastigote form of Trypanosoma cruz... | 23968432 |
| Trypanosoma brucei rhodesiense | IC50 | = | 94700.0 | nM | 4.02 | Antiprotozoal activity against trypomastigote form of Trypanosoma brucei rhodesi... | 23968432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23968432 | 10.1021/jm401007p | Unchecked | 3 |
| 23968432 | 10.1021/jm401007p | Leishmania tarentolae | 1 |
| 23968432 | 10.1021/jm401007p | Leishmania donovani | 1 |
| 23968432 | 10.1021/jm401007p | Trypanosoma cruzi | 1 |
| 23968432 | 10.1021/jm401007p | Trypanosoma brucei rhodesiense | 1 |
| 23968432 | 10.1021/jm401007p | Plasmodium falciparum | 1 |
| 23968432 | 10.1021/jm401007p | L6 | 1 |
Data from ChEMBL 36 via Core Engine