Compound Detail
CHEMBL478371
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Basic Information
| ChEMBL ID | CHEMBL478371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXPWVQPKRMIYJL-SDBHATRESA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
-0.20
ALogP
10
HBA
4
HBD
134.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.76 | 4.69 | 17400.0 | 2 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.48 | 4.48 | 32900.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.29 | 4.29 | 51600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 17400.0 | nM | 4.76 | Antitrypanosomal activity against tbat1 knockout Trypanosoma cruzi BS221 infecte... | 17698622 |
| Trypanosoma cruzi | IC50 | = | 24100.0 | nM | 4.62 | Antitrypanosomal activity against wild type Trypanosoma cruzi BS221 infected in ... | 17698622 |
| Trypanosoma brucei rhodesiense | IC50 | = | 32900.0 | nM | 4.48 | Trypanocidal activity against Trypanosoma brucei rhodesiense STIB 900 infected i... | 17698622 |
| L6 | IC50 | = | 51600.0 | nM | 4.29 | Cytotoxicity against rat L6 cells | 17698622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17698622 | 10.1128/aac.00425-07 | Trypanosoma cruzi | 4 |
| 17698622 | 10.1128/aac.00425-07 | L6 | 1 |
| 17698622 | 10.1128/aac.00425-07 | Leishmania donovani | 1 |
| 17698622 | 10.1128/aac.00425-07 | Plasmodium falciparum | 1 |
| 17698622 | 10.1128/aac.00425-07 | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine