Compound Detail
CHEMBL253779
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Basic Information
| ChEMBL ID | CHEMBL253779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSAIVLRELNGZEY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
3.22
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.49 | 4.375 | 32200.0 | 2 |
| A549 CHEMBL392 | IC50 | 4.05 | 4.05 | 89500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 32200.0 | nM | 4.49 | Cytotoxicity against mouse Colon 26-L5 cells after 72 hrs by MTT assay | 19689125 |
| NON-PROTEIN TARGET | IC50 | = | 55500.0 | nM | 4.26 | Cytotoxicity against mouse B16-BL6 cells after 72 hrs by MTT assay | 19689125 |
| A549 | IC50 | = | 89500.0 | nM | 4.05 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 19689125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25734332 | 10.1016/j.ejmech.2015.02.025 | Albumin | 16 |
| 19689125 | 10.1021/np9003323 | NON-PROTEIN TARGET | 2 |
| 17883259 | 10.1021/np070260v | Helicobacter pylori | 1 |
| 19689125 | 10.1021/np9003323 | HT-1080 | 1 |
| 19689125 | 10.1021/np9003323 | PANC-1 | 1 |
| 19689125 | 10.1021/np9003323 | A549 | 1 |
| 19689125 | 10.1021/np9003323 | HeLa | 1 |
| 38911149 | 10.1039/d4md00011k | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine