Compound Detail
CHEMBL514900
TSITSIKAMMAMINE B Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL514900 |
| Name | TSITSIKAMMAMINE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHSWTDRJRRNLLR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
2.66
ALogP
4
HBA
2
HBD
70.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.62 | 5.62 | 2382.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 2382.0 | nM | 5.62 | Cytotoxicity against human HCT116 cells after 72 hrs by MTS assay | 15332840 |
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 |
Data from ChEMBL 36 via Core Engine