Compound Detail
CHEMBL464658
GITOXIGENIN Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)[C@@H](O)C[C@]12O
Basic Information
| ChEMBL ID | CHEMBL464658 |
| Name | GITOXIGENIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVAMXWLZJKTXFW-VQMOFDJESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
2.58
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.38
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TK-10 | IC50 | = | 415.6 | nM | 6.38 | Cytotoxicity against human TK10 cells after 48 hrs by SRB assay | 16309315 |
| MCF7 | IC50 | = | 1805.6 | nM | 5.74 | Cytotoxicity against human MCF7 cells after 48 hrs by SRB assay | 16309315 |
| UACC-62 | IC50 | = | 2838.9 | nM | 5.55 | Cytotoxicity against human UACC62 cells after 48 hrs by SRB assay | 16309315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12109909 | 10.1021/jm0102811 | Monoclonal antibody (mAb) | 5 |
| 3012087 | 10.1021/jm00156a017 | Unchecked | 1 |
| 2089119 | 10.1021/np50072a015 | Unchecked | 1 |
| 16309315 | 10.1021/np050226l | TK-10 | 1 |
| 16309315 | 10.1021/np050226l | MCF7 | 1 |
| 16309315 | 10.1021/np050226l | UACC-62 | 1 |
| 19894733 | 10.1021/np900210m | NON-PROTEIN TARGET | 1 |
| 19894733 | 10.1021/np900210m | HCT-116 | 1 |
| 19894733 | 10.1021/np900210m | HT-29 | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine