Compound Detail
CHEMBL1644025
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 | CHEMBL1644025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPJWSZCPOVPZHT-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
3.57
ALogP
5
HBA
0
HBD
83.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| HEL CHEMBL613888 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| SK-BR-3 CHEMBL613834 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.33 | 5.33 | 4720.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 380.0 | nM | 6.42 | Antiproliferative activity against mouse P388D1 cells after 48 hrs by MTT assay | 21208805 |
| HEL | IC50 | = | 600.0 | nM | 6.22 | Antiproliferative activity against human HEL cells after 48 hrs by MTT assay | 24054489 |
| SK-BR-3 | IC50 | = | 1200.0 | nM | 5.92 | Antiproliferative activity against human SKBR3 cells after 48 hrs by MTT assay | 24054489 |
| HeLa | IC50 | = | 4700.0 | nM | 5.33 | Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay | 21208805 |
| HepG2 | IC50 | = | 4720.0 | nM | 5.33 | Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay | 21208805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24054489 | 10.1016/j.bmc.2013.08.039 | Saccharomyces cerevisiae | 3 |
| 21208805 | 10.1016/j.bmc.2010.11.055 | Calf thymus DNA | 2 |
| 24054489 | 10.1016/j.bmc.2013.08.039 | DNA topoisomerase 2-alpha | 2 |
| 21208805 | 10.1016/j.bmc.2010.11.055 | HeLa | 1 |
| 21208805 | 10.1016/j.bmc.2010.11.055 | NON-PROTEIN TARGET | 1 |
| 21208805 | 10.1016/j.bmc.2010.11.055 | HepG2 | 1 |
| 24054489 | 10.1016/j.bmc.2013.08.039 | HEL | 1 |
| 24054489 | 10.1016/j.bmc.2013.08.039 | SK-BR-3 | 1 |
Data from ChEMBL 36 via Core Engine