Compound Detail
CHEMBL450288
XANTHOXYLIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL450288 |
| Name | XANTHOXYLIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBUBVLUPUDBFME-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
1.61
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 18700.0 | nM | 4.73 | Cytotoxicity against human HeLa cells assessed as reduction in cell viability in... | 31673309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 521818 | 10.1021/np50005a008 | NON-PROTEIN TARGET | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 20619940 | 10.1016/j.ejmech.2010.06.025 | HeLa | 1 |
| 20619940 | 10.1016/j.ejmech.2010.06.025 | A549 | 1 |
| 20619940 | 10.1016/j.ejmech.2010.06.025 | HT-29 | 1 |
| 20619940 | 10.1016/j.ejmech.2010.06.025 | HL-60 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 31673309 | 10.1039/C9MD00052F | HeLa | 1 |
| 31673309 | 10.1039/C9MD00052F | U-937 | 1 |
| 31673309 | 10.1039/C9MD00052F | A549 | 1 |
| 31673309 | 10.1039/C9MD00052F | MIA PaCa-2 | 1 |
| 31673309 | 10.1039/C9MD00052F | REH | 1 |
| 31673309 | 10.1039/C9MD00052F | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine