Compound Detail
CHEMBL442989
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Basic Information
| ChEMBL ID | CHEMBL442989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFWRRQPKLTVAAU-RIYZIHGNSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
273.2
MW (Da)
2.26
ALogP
5
HBA
1
HBD
97.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.07 | 4.81 | 8530.0 | 4 |
| Leishmania donovani CHEMBL367 | IC50 | 4.7 | 4.7 | 19760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 8530.0 | nM | 5.07 | Antitrypanosomal activity against Trypanosoma cruzi Colombiana Tc1 epimastigotes... | 29247858 |
| Trypanosoma cruzi | IC50 | = | 9890.0 | nM | 5.0 | Anti-trypanosomal activity against Trypanosoma cruzi Y epimastigote forms assess... | 25899337 |
| Leishmania donovani | IC50 | = | 19760.0 | nM | 4.7 | Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs ... | 18571927 |
| Trypanosoma cruzi | IC50 | = | 24810.0 | nM | 4.61 | Anti-trypanosomal activity against Trypanosoma cruzi Bug 2149 cl10 epimastigote ... | 25899337 |
| Trypanosoma cruzi | IC50 | = | 27690.0 | nM | 4.56 | Anti-trypanosomal activity against Trypanosoma cruzi Silvio X10 cl1 epimastigote... | 25899337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25899337 | 10.1016/j.ejmech.2015.03.066 | Trypanosoma cruzi | 8 |
| 25899337 | 10.1016/j.ejmech.2015.03.066 | Unchecked | 3 |
| 29247858 | 10.1016/j.ejmech.2017.12.011 | Trypanosoma cruzi | 3 |
| 18571927 | 10.1016/j.bmc.2008.05.076 | Leishmania donovani | 2 |
| 25899337 | 10.1016/j.ejmech.2015.03.066 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine