Compound Detail
CHEMBL5438251
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Basic Information
| ChEMBL ID | CHEMBL5438251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBUBPCZVZWHAFT-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
5.14
ALogP
4
HBA
4
HBD
97.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.48
Kd 1 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | EC50 | 6.48 | 6.22 | 330.0 | 2 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 5.36 | 5.24 | 4330.0 | 2 |
| Unchecked CHEMBL612545 | Kd | 4.63 | 4.63 | 23600.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 4.3 | 4.3 | 50100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | EC50 | = | 330.0 | nM | 6.48 | Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 promastigote... | 37729094 |
| Leishmania donovani | EC50 | = | 1110.0 | nM | 5.96 | Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 intracellula... | 37729094 |
| Trypanosoma cruzi | EC50 | = | 4330.0 | nM | 5.36 | Antitrypanosomal activity against Trypanosoma cruzi epimastigotes CL-B5 expressi... | 37729094 |
| Trypanosoma cruzi | EC50 | = | 7660.0 | nM | 5.12 | Antitrypanosomal activity against Trypanosoma cruzi amastigotes CL-B5 expressing... | 37729094 |
| Unchecked | Kd | = | 23600.0 | nM | 4.63 | Binding affinity to biotin tagged hairpin DNA 5'-CGAATTCGTCTCCGAATTCG-3' (unknow... | 37729094 |
| Trypanosoma brucei | EC50 | = | 50100.0 | nM | 4.3 | Antitrypanosomal activity against pentamidine resistant Trypanosoma brucei B48 i... | 37729094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37729094 | 10.1021/acs.jmedchem.3c00697 | Unchecked | 5 |
| 37729094 | 10.1021/acs.jmedchem.3c00697 | No relevant target | 4 |
| 37729094 | 10.1021/acs.jmedchem.3c00697 | ADMET | 3 |
| 37729094 | 10.1021/acs.jmedchem.3c00697 | Trypanosoma brucei | 2 |
| 37729094 | 10.1021/acs.jmedchem.3c00697 | Trypanosoma cruzi | 2 |
| 37729094 | 10.1021/acs.jmedchem.3c00697 | Leishmania donovani | 2 |
| 37729094 | 10.1021/acs.jmedchem.3c00697 | L929 | 1 |
| 37729094 | 10.1021/acs.jmedchem.3c00697 | THP-1 | 1 |
| 37729094 | 10.1021/acs.jmedchem.3c00697 | Trichomonas vaginalis | 1 |
Data from ChEMBL 36 via Core Engine