Compound Detail
CHEMBL511443
TRISPHAERIDINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL511443 |
| Name | TRISPHAERIDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFILRSDHWIIIMN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
223.2
MW (Da)
3.12
ALogP
3
HBA
0
HBD
31.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 12000.0 | nM | 4.92 | Growth inhibition of human GXF251L cells after 72 hrs by SRB assay | 23266176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15270564 | 10.1021/np030529k | Macrophage | 5 |
| 15270564 | 10.1021/np030529k | ADMET | 5 |
| 23190013 | 10.1021/np3005425 | HT-29 | 1 |
| 23190013 | 10.1021/np3005425 | HepG2 | 1 |
| 23190013 | 10.1021/np3005425 | A549 | 1 |
| 23190013 | 10.1021/np3005425 | K562 | 1 |
| 23190013 | 10.1021/np3005425 | HL-60 | 1 |
| 23266176 | 10.1016/j.bmc.2012.11.011 | NON-PROTEIN TARGET | 1 |
| 23266176 | 10.1016/j.bmc.2012.11.011 | DNA topoisomerase 1 | 1 |
Data from ChEMBL 36 via Core Engine