Compound Detail
CHEMBL254733
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Basic Information
| ChEMBL ID | CHEMBL254733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQBBUIYBPUQHDG-UYQMRJNESA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
365.6
MW (Da)
6.87
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 2500.0 | nM | 5.6 | Antileishmanial activity against Leishmania donovani MHOM/BR/74/PP75 promastigot... | 18024033 |
| Leishmania braziliensis | IC50 | = | 2700.0 | nM | 5.57 | Antileishmanial activity against Leishmania braziliensis MHOM/BR/75/M2903 promas... | 18024033 |
| Leishmania amazonensis | IC50 | = | 3000.0 | nM | 5.52 | Antileishmanial activity against Leishmania amazonensis IFLA/BR/67 promastigotes... | 18024033 |
| Trypanosoma cruzi | IC50 | = | 7400.0 | nM | 5.13 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen epimastigotes after... | 18024033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18024033 | 10.1016/j.bmcl.2007.10.102 | Leishmania amazonensis | 1 |
| 18024033 | 10.1016/j.bmcl.2007.10.102 | Leishmania braziliensis | 1 |
| 18024033 | 10.1016/j.bmcl.2007.10.102 | Leishmania donovani | 1 |
| 18024033 | 10.1016/j.bmcl.2007.10.102 | Trypanosoma cruzi | 1 |
| 18024033 | 10.1016/j.bmcl.2007.10.102 | A549 | 1 |
Data from ChEMBL 36 via Core Engine