Compound Detail
CHEMBL3410629
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Basic Information
| ChEMBL ID | CHEMBL3410629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKULIXGXFMDTPC-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
2.83
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme oxygenase 1 CHEMBL5035 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
| Heme oxygenase 2 CHEMBL3348 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.64 | 4.64 | 22775.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.29 | 4.29 | 51710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme oxygenase 1 | IC50 | = | 740.0 | nM | 6.13 | Inhibition of Sprague-Dawley rat spleen microsome HO-1 preincubated for 10 mins ... | 31550661 |
| Heme oxygenase 2 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins f... | 31550661 |
| Trypanosoma cruzi | IC50 | = | 22775.0 | nM | 4.64 | Antitrypanosomal activity against amastigote stage of Trypanosoma cruzi Tulahuen... | 25580906 |
| Trypanosoma brucei rhodesiense | IC50 | = | 51710.0 | nM | 4.29 | Antitrypanosomal activity against trypomastigote stage of Trypanosoma brucei rho... | 25580906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25580906 | 10.1021/jm5015742 | Trypanosoma brucei rhodesiense | 1 |
| 25580906 | 10.1021/jm5015742 | Trypanosoma cruzi | 1 |
| 25580906 | 10.1021/jm5015742 | Unchecked | 1 |
| 25580906 | 10.1021/jm5015742 | L6 | 1 |
| 31550661 | 10.1016/j.ejmech.2019.111703 | Heme oxygenase 1 | 1 |
| 31550661 | 10.1016/j.ejmech.2019.111703 | Heme oxygenase 2 | 1 |
Data from ChEMBL 36 via Core Engine