Compound Detail
CHEMBL3622707
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Basic Information
| ChEMBL ID | CHEMBL3622707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZQCDWWVALNWSS-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
0.17
ALogP
7
HBA
7
HBD
205.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.01
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 98000.0 | nM | 4.01 | Cytotoxicity against macrophages differentiated from human THP1 cells assessed a... | 26322631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26322631 | 10.1021/acs.jmedchem.5b00687 | Unchecked | 2 |
| 26322631 | 10.1021/acs.jmedchem.5b00687 | Trypanosoma brucei brucei | 1 |
| 26322631 | 10.1021/acs.jmedchem.5b00687 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine