Compound Detail
CHEMBL3134060
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 | CHEMBL3134060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDAATSHQUAMAPZ-DUXKGJEZSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
330.5
MW (Da)
4.70
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 4.65 | 4.65 | 22330.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.37 | 4.37 | 42920.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.25 | 4.25 | 56010.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.15 | 4.135 | 71200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 22330.0 | nM | 4.65 | Cytotoxic activity against human PC3 cells assessed as reduction in cell viabili... | 28011223 |
| SK-OV-3 | IC50 | = | 42920.0 | nM | 4.37 | Cytotoxic activity against human SKOV3 cells assessed as reduction in cell viabi... | 28011223 |
| A549 | IC50 | = | 56010.0 | nM | 4.25 | Cytotoxic activity against human A549 cells assessed as reduction in cell viabil... | 28011223 |
| Trypanosoma cruzi | IC50 | = | 71200.0 | nM | 4.15 | Antitrypanosomal activity against Trypanosoma cruzi TINF/CH/1956/Tulahuen (DTU V... | 33253573 |
| Trypanosoma cruzi | IC50 | = | 75000.0 | nM | 4.12 | Antitrypanosomal activity against Trypanosoma cruzi MHOM/Pe/2011/Arequipa(DTU V)... | 33253573 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33253573 | 10.1021/acs.jnatprod.0c00651 | Trypanosoma cruzi | 9 |
| 35969814 | 10.1021/acs.jnatprod.2c00464 | Zika virus | 4 |
| 35969814 | 10.1021/acs.jnatprod.2c00464 | dengue virus type 2 | 4 |
| 35969814 | 10.1021/acs.jnatprod.2c00464 | Human alphaherpesvirus 1 | 2 |
| 35969814 | 10.1021/acs.jnatprod.2c00464 | Chikungunya virus | 2 |
| - | 10.1039/C3MD00151B | ADMET | 2 |
| 28011223 | 10.1016/j.bmcl.2016.12.032 | PC-3 | 1 |
| 33253573 | 10.1021/acs.jnatprod.0c00651 | Vero | 1 |
| 29153424 | 10.1016/j.bmcl.2017.11.014 | Escherichia coli | 1 |
| 29153424 | 10.1016/j.bmcl.2017.11.014 | Bacillus subtilis | 1 |
| 29153424 | 10.1016/j.bmcl.2017.11.014 | Staphylococcus aureus | 1 |
| 28011223 | 10.1016/j.bmcl.2016.12.032 | A549 | 1 |
| 28011223 | 10.1016/j.bmcl.2016.12.032 | SK-OV-3 | 1 |
| - | 10.1039/C3MD00151B | Human alphaherpesvirus 1 | 1 |
| - | 10.1039/C3MD00151B | Aspergillus fumigatus | 1 |
| - | 10.1039/C3MD00151B | Aspergillus flavus | 1 |
| - | 10.1039/C3MD00151B | Aspergillus niger | 1 |
| - | 10.1039/C3MD00151B | Aspergillus terreus | 1 |
| - | 10.1039/C3MD00151B | Vero | 1 |
| - | 10.1039/C3MD00151B | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine