Compound Detail
CHEMBL75345
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Basic Information
| ChEMBL ID | CHEMBL75345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWTQUILISBTGND-SJRJEOIZSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
-1.39
ALogP
8
HBA
3
HBD
132.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | IC50 | 8.68 | 8.4833 | 2.1 | 3 |
| P388 CHEMBL389 | IC50 | 8.01 | 8.01 | 9.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | IC50 | = | 2.1 | nM | 8.68 | Antitumor potency on human ovarian 2780 cell lines. | 1906109 |
| Nucleic Acid | IC50 | = | 3.9 | nM | 8.41 | Antitumor potency on human colon WIDR cell lines. | 1906109 |
| Nucleic Acid | IC50 | = | 4.4 | nM | 8.36 | Antitumor potency on human breast MCF-7 cell lines. | 1906109 |
| P388 | IC50 | = | 9.7 | nM | 8.01 | 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