Compound Detail
CHEMBL1944644
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Basic Information
| ChEMBL ID | CHEMBL1944644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSOOQBOMPCHVGD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
1.16
ALogP
6
HBA
1
HBD
77.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | EC50 | 7.13 | 7.0133 | 74.0 | 3 |
| MRC5 CHEMBL614181 | EC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | EC50 | = | 74.0 | nM | 7.13 | Antitrypanosomal activity against P2/AT1 double knockout Trypanosoma brucei afte... | 22264753 |
| Trypanosoma brucei | EC50 | = | 95.0 | nM | 7.02 | Antitrypanosomal activity against wild type Trypanosoma brucei after 3 days by r... | 22264753 |
| Trypanosoma brucei | EC50 | = | 130.0 | nM | 6.89 | Antitrypanosomal activity against blood stream form of Trypanosoma brucei after ... | 22264753 |
| MRC5 | EC50 | = | 310.0 | nM | 6.51 | Cytotoxicity against human MRC5 cells after 3 days by resazurin-based fluorescen... | 22264753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22264753 | 10.1016/j.bmc.2011.12.018 | Trypanosoma brucei | 4 |
| 22264753 | 10.1016/j.bmc.2011.12.018 | MRC5 | 1 |
| 22264753 | 10.1016/j.bmc.2011.12.018 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine