Compound Detail
CHEMBL457826
TSITSIKAMMAMINE A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL457826 |
| Name | TSITSIKAMMAMINE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEAXSAGTEKAYBH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
2.65
ALogP
3
HBA
3
HBD
81.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.85 | 5.85 | 1414.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.81 | 4.81 | 15600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.74 | 4.74 | 18100.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 1414.0 | nM | 5.85 | Cytotoxicity against human HCT116 cells after 72 hrs by MTS assay | 15332840 |
| A549 | IC50 | = | 15600.0 | nM | 4.81 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 19897281 |
| NON-PROTEIN TARGET | IC50 | = | 18100.0 | nM | 4.74 | Cytotoxicity against human U373 cells after 72 hrs by MTT assay | 19897281 |
| PC-3 | IC50 | = | 23000.0 | nM | 4.64 | Cytotoxicity against human PC3 cells after 72 hrs by MTT assay | 19897281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15332840 | 10.1021/np034084b | HCT-116 | 1 |
| 15332840 | 10.1021/np034084b | DNA topoisomerase 1 | 1 |
| 15332840 | 10.1021/np034084b | Unchecked | 1 |
| 19897281 | 10.1016/j.ejmech.2009.10.019 | NON-PROTEIN TARGET | 1 |
| 19897281 | 10.1016/j.ejmech.2009.10.019 | A549 | 1 |
| 19897281 | 10.1016/j.ejmech.2009.10.019 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine