Compound Detail
CHEMBL72796
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 | CHEMBL72796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQNVDJLPWLFSPY-SJRJEOIZSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
-1.64
ALogP
9
HBA
4
HBD
153.1
PSA (Ų)
0.23
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | IC50 | 7.12 | 6.9967 | 76.4 | 3 |
| P388 CHEMBL389 | IC50 | 6.34 | 6.34 | 459.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | IC50 | = | 76.4 | nM | 7.12 | Antitumor potency on human ovarian 2780 cell lines. | 1906109 |
| Nucleic Acid | IC50 | = | 102.0 | nM | 6.99 | Antitumor potency on human colon WIDR cell lines. | 1906109 |
| Nucleic Acid | IC50 | = | 132.5 | nM | 6.88 | Antitumor potency on human breast MCF-7 cell lines. | 1906109 |
| P388 | IC50 | = | 459.0 | nM | 6.34 | Antitumor potency on P388 leukemia cells in culture | 1906109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1906109 | 10.1021/jm00111a051 | Nucleic Acid | 3 |
| 1906109 | 10.1021/jm00111a051 | P388 | 1 |
| 1906109 | 10.1021/jm00111a051 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine