Compound Detail
CHEMBL1795631
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Basic Information
| ChEMBL ID | CHEMBL1795631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWOLRAFTBCFGBU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
3.99
ALogP
9
HBA
2
HBD
106.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| L929 CHEMBL612267 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.6667 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 290.0 | nM | 6.54 | Antitrypanosomal activity against Trypanosoma brucei brucei | 21507639 |
| L929 | IC50 | = | 15000.0 | nM | 4.82 | Cytotoxicity against mouse L929 cells | 21507639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21507639 | 10.1016/j.bmcl.2011.03.097 | Trypanosoma brucei brucei | 1 |
| 21507639 | 10.1016/j.bmcl.2011.03.097 | L929 | 1 |
| 21507639 | 10.1016/j.bmcl.2011.03.097 | No relevant target | 1 |
| 21507639 | 10.1016/j.bmcl.2011.03.097 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine