Compound Detail
CHEMBL4636505
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Basic Information
| ChEMBL ID | CHEMBL4636505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKCIPEFSZITGMF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
274.2
MW (Da)
2.25
ALogP
6
HBA
5
HBD
118.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 70000.0 | nM | 4.16 | Antiproliferative activity against mouse NS1 cells assessed as reduction in cell... | 32119543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32119543 | 10.1021/acs.jnatprod.9b01066 | Unchecked | 2 |
| 32119543 | 10.1021/acs.jnatprod.9b01066 | Bacillus subtilis | 2 |
| 32119543 | 10.1021/acs.jnatprod.9b01066 | Candida albicans | 1 |
| 32119543 | 10.1021/acs.jnatprod.9b01066 | Saccharomyces cerevisiae | 1 |
| 32119543 | 10.1021/acs.jnatprod.9b01066 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine