Compound Detail
CHEMBL2064573
BENZO[K]TRYPTANTHRIN 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
Basic Information
| ChEMBL ID | CHEMBL2064573 |
| Name | BENZO[K]TRYPTANTHRIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNHSWZYFDMOJEI-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.08
ALogP
4
HBA
0
HBD
52.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.99 | 4.99 | 10350.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.87 | 4.87 | 13540.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.75 | 4.75 | 17630.0 | 1 |
| T47D CHEMBL614361 | IC50 | 4.64 | 4.64 | 23080.0 | 1 |
| HCT-15 CHEMBL612263 | IC50 | 4.59 | 4.59 | 25760.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.58 | 4.58 | 26020.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.5 | 4.5 | 31520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 10350.0 | nM | 4.99 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 38169246 |
| HCT-116 | IC50 | = | 13540.0 | nM | 4.87 | Antiproliferative activity against human HCT-116 cells assessed as inhibition of... | 38169246 |
| MDA-MB-231 | IC50 | = | 17630.0 | nM | 4.75 | Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition... | 38169246 |
| T47D | IC50 | = | 23080.0 | nM | 4.64 | Cytotoxicity against human T47D cells after 72 hrs by MTT assay | 22819942 |
| HCT-15 | IC50 | = | 25760.0 | nM | 4.59 | Cytotoxicity against human HCT15 cells after 72 hrs by MTT assay | 22819942 |
| DU-145 | IC50 | = | 26020.0 | nM | 4.58 | Cytotoxicity against human DU145 cells after 72 hrs by MTT assay | 22819942 |
| HEK293 | IC50 | = | 31520.0 | nM | 4.5 | Cytotoxicity against human HEK293 cells after 72 hrs by MTT assay | 22819942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22819942 | 10.1016/j.bmc.2012.06.034 | Unchecked | 1 |
| 22819942 | 10.1016/j.bmc.2012.06.034 | DNA topoisomerase 2-alpha | 1 |
| 22819942 | 10.1016/j.bmc.2012.06.034 | T47D | 1 |
| 22819942 | 10.1016/j.bmc.2012.06.034 | HCT-15 | 1 |
| 22819942 | 10.1016/j.bmc.2012.06.034 | DU-145 | 1 |
| 22819942 | 10.1016/j.bmc.2012.06.034 | HEK293 | 1 |
| 38169246 | 10.1016/j.bmcl.2023.129598 | A549 | 1 |
| 38169246 | 10.1016/j.bmcl.2023.129598 | MDA-MB-231 | 1 |
| 38169246 | 10.1016/j.bmcl.2023.129598 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine