Compound Detail
CHEMBL1801015
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Basic Information
| ChEMBL ID | CHEMBL1801015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSGKFXVPVUNGDT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
270.2
MW (Da)
2.58
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 4.91 | 4.91 | 12290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 12290.0 | nM | 4.91 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 bloodstre... | 27411733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27411733 | 10.1021/acs.jmedchem.6b00698 | Unchecked | 4 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | Trypanosoma brucei brucei | 3 |
| 21073191 | 10.1021/jm101206p | BDNF/NT-3 growth factors receptor | 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 |
| 32364726 | 10.1021/acs.jnatprod.0c00014 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine