Compound Detail
CHEMBL4436191
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Basic Information
| ChEMBL ID | CHEMBL4436191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISGNFBBRJRWYOB-YFKTTZPYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
198.3
MW (Da)
2.09
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BGC-823 CHEMBL614526 | IC50 | 4.31 | 4.31 | 49300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BGC-823 | IC50 | = | 49300.0 | nM | 4.31 | Cytotoxicity against human BGC823 cells assessed as reduction in cell viability ... | 26933756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26933756 | 10.1021/acs.jnatprod.5b00827 | BGC-823 | 1 |
| 26933756 | 10.1021/acs.jnatprod.5b00827 | Caco-2 | 1 |
| 26933756 | 10.1021/acs.jnatprod.5b00827 | NCI-H460 | 1 |
| 26933756 | 10.1021/acs.jnatprod.5b00827 | SMMC-7721 | 1 |
| 26933756 | 10.1021/acs.jnatprod.5b00827 | Bacillus spizizenii | 1 |
| 26933756 | 10.1021/acs.jnatprod.5b00827 | Staphylococcus aureus | 1 |
| 26933756 | 10.1021/acs.jnatprod.5b00827 | Escherichia coli | 1 |
| 26933756 | 10.1021/acs.jnatprod.5b00827 | Candida albicans | 1 |
| 26933756 | 10.1021/acs.jnatprod.5b00827 | Candida parapsilosis | 1 |
| 26933756 | 10.1021/acs.jnatprod.5b00827 | Cryptococcus neoformans | 1 |
Data from ChEMBL 36 via Core Engine