Compound Detail
CHEMBL457943
TEPHROPURPURIN Enter ChEMBL ID:
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COc1cc2c(c(O)c1C(=O)/C=C/c1ccccc1)[C@H]1[C@@H](O2)OC(C)(C)[C@@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL457943 |
| Name | TEPHROPURPURIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BICKLHZENLKHGI-LXEULODHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
3.84
ALogP
7
HBA
1
HBD
91.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.87 | 4.805 | 13400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 13400.0 | nM | 4.87 | Cytotoxicity against mouse Hepa-1c1c7 cells assessed as cell survival after 2 da... | 9322358 |
| NON-PROTEIN TARGET | IC50 | = | 18100.0 | nM | 4.74 | Cytotoxicity against mouse Hepa-1c1c7 cells | 23895019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23895019 | 10.1021/np400567c | Unchecked | 2 |
| 9322358 | 10.1021/np970236p | Quinone oxidoreductase | 1 |
| 9322358 | 10.1021/np970236p | NON-PROTEIN TARGET | 1 |
| 9322358 | 10.1021/np970236p | Unchecked | 1 |
| 23895019 | 10.1021/np400567c | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine