Compound Detail
CHEMBL1224325
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Basic Information
| ChEMBL ID | CHEMBL1224325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXPBSBBFPNTFFT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
2.28
ALogP
6
HBA
4
HBD
111.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.87 | 5.87 | 1360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 1360.0 | nM | 5.87 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 bloodstre... | 27411733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27411733 | 10.1021/acs.jmedchem.6b00698 | Unchecked | 3 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | Trypanosoma brucei brucei | 2 |
| 20692831 | 10.1016/j.bmcl.2010.07.068 | NON-PROTEIN TARGET | 1 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | Dihydrofolate reductase | 1 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | Thymidylate synthase | 1 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | 786-0 | 1 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | A549 | 1 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | WI-38 | 1 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | THP-1 | 1 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | Cytochrome P450 1A2 | 1 |
Data from ChEMBL 36 via Core Engine