Compound Detail
CHEMBL3142411
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Basic Information
| ChEMBL ID | CHEMBL3142411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBGFRYZQNWMJML-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1963343 |
| Active Moiety | CHEMBL1963343 |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
2.42
ALogP
7
HBA
0
HBD
80.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.68 | 5.9667 | 210.0 | 3 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.27 | 5.27 | 5330.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.59 | 4.59 | 25920.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.28 | 4.28 | 52790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 40.0 | nM | 7.4 | Antitrypanosomal activity against blood stream form of Trypanosoma cruzi Tulahue... | 22023653 |
| Trypanosoma brucei brucei | IC50 | = | 210.0 | nM | 6.68 | Antitrypanosomal activity against tetracycline-induced blood-stream Trypanosoma ... | 22023653 |
| Trypanosoma brucei brucei | IC50 | = | 2300.0 | nM | 5.64 | Antitrypanosomal activity against blood-stream Trypanosoma brucei brucei after 3... | 22023653 |
| Trypanosoma brucei brucei | IC50 | = | 2630.0 | nM | 5.58 | Antitrypanosomal activity against blood-stream Trypanosoma brucei brucei express... | 22023653 |
| Trypanosoma brucei rhodesiense | IC50 | = | 5330.0 | nM | 5.27 | Antitrypanosomal activity against blood stream form of Trypanosoma brucei rhodes... | 22023653 |
| Leishmania donovani | IC50 | = | 25920.0 | nM | 4.59 | Antileishmanial activity against Leishmania donovani MHOM-ET-67/L82 amastigotes ... | 22023653 |
| L6 | IC50 | = | 52790.0 | nM | 4.28 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 22023653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22023653 | 10.1021/jm201215n | Trypanosoma brucei brucei | 4 |
| 22023653 | 10.1021/jm201215n | Unchecked | 3 |
| 22023653 | 10.1021/jm201215n | Trypanosoma cruzi | 2 |
| 22023653 | 10.1021/jm201215n | Trypanosoma brucei rhodesiense | 1 |
| 22023653 | 10.1021/jm201215n | Leishmania donovani | 1 |
| 22023653 | 10.1021/jm201215n | L6 | 1 |
| 22023653 | 10.1021/jm201215n | No relevant target | 1 |
| 24012457 | 10.1016/j.bmc.2013.08.022 | ADMET | 1 |
| 24012457 | 10.1016/j.bmc.2013.08.022 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine